Geometry & MOs

Info

ID:	62721
PubChem CID:	26736320
Reduced:	ClNSO4C16H16 (1)
Stoich.:	ABCD4E16F16 (1)
Weight, g/mol:	370.135114
ΔH_f, kcal/mol:	-126.91
Dipole, Da:	5.86
IP(EA), eV:	-8.65(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(2-ethoxyphenyl)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

DOS

IR

Vibrations