Geometry & MOs

Info

ID:	145866
PubChem CID:	53604606
Reduced:	SO2N4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	-4.29
Dipole, Da:	6.67
IP(EA), eV:	-9.22(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(3-methylphenyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC(=O)CN(C)C(=O)/C=C/C2=CSC=N2

DOS

IR

Vibrations