Geometry & MOs

Info

ID:	138210
PubChem CID:	52328485
Reduced:	N2O3C13H22 (1)
Stoich.:	A2B3C13D22 (1)
Weight, g/mol:	409.126026
ΔH_f, kcal/mol:	-108.95
Dipole, Da:	4.1
IP(EA), eV:	-9.18(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CCO)CC(=O)N(C)CC1=CC=CO1

DOS

IR

Vibrations