Geometry & MOs

Info

ID:	135798
PubChem CID:	51937895
Reduced:	SO2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	392.130697
ΔH_f, kcal/mol:	0.82
Dipole, Da:	8.92
IP(EA), eV:	-8.67(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1SC2=CC=C(C=C2)NC(=O)[C@@H]3CC(=O)N(C3)C4=CC=CC=C4

DOS

IR

Vibrations