Geometry & MOs

Info

ID:	138276
PubChem CID:	52338072
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	441.115855
ΔH_f, kcal/mol:	-175.52
Dipole, Da:	7.64
IP(EA), eV:	-8.54(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3R,4S)-3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydro-3H-pyridin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@H]2CCCN(C2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations