Geometry & MOs

Info

ID:	27411
PubChem CID:	821206
Reduced:	SO3N4H10C11 (1)
Stoich.:	AB3C4D10E11 (1)
Weight, g/mol:	342.113506
ΔH_f, kcal/mol:	28.17
Dipole, Da:	2.53
IP(EA), eV:	-9.04(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(4-chlorophenyl)methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)SC2=NN=CN2C)[N+](=O)[O-]

DOS

IR

Vibrations