Geometry & MOs

Info

ID:	434500
PubChem CID:	135175060
Reduced:	O4N5C29H35 (1)
Stoich.:	A4B5C29D35 (1)
Weight, g/mol:	1042.408118
ΔH_f, kcal/mol:	-105.95
Dipole, Da:	10.69
IP(EA), eV:	-9.09(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-4-hydroxy-4-(hydroxymethyl)-N-[[4-[4-[(3R,4R)-5-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-5-oxopentyl]-1,3-thiazol-5-yl]phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=CN=CN3C)O)N4CC5=CC=CC=C5C4O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=CN=CN3C)O)N4CC5=CC=CC=C5C4O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):