Geometry & MOs

Info

ID:	443183
PubChem CID:	135258017
Reduced:	N4O6C27H32 (1)
Stoich.:	A4B6C27D32 (1)
Weight, g/mol:	572.239476
ΔH_f, kcal/mol:	-171.85
Dipole, Da:	6.52
IP(EA), eV:	-9.09(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3R)-1-[[(2S)-3-[2-[2-cyanoprop-2-enoyl(methyl)amino]ethoxy]-1-[(2-fluoro-4-methylphenyl)methylamino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-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

CC1=CC=C(C=C1)CNC(=O)[C@H](COC2=CC=CC(=C2)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)C3=NOC(=C3)C

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

CC1=CC=C(C=C1)CNC(=O)[C@H](COC2=CC=CC(=C2)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)C3=NOC(=C3)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):