Geometry & MOs

Info

ID:	433727
PubChem CID:	135173867
Reduced:	SO3N4C15H28 (1)
Stoich.:	AB3C4D15E28 (1)
Weight, g/mol:	482.25292
ΔH_f, kcal/mol:	-139.8
Dipole, Da:	7.1
IP(EA), eV:	-9.28(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-N-[(1S)-1-[4-(2,3-dihydro-1,3-oxazol-5-yl)phenyl]ethyl]-1-[(2R)-3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxypyrrolidine-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(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)N)O)/N=C\SC

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(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)N)O)/N=C\SC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):