Geometry & MOs

Info

ID:	177870
PubChem CID:	76246511
Reduced:	SN2O4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	360.183778
ΔH_f, kcal/mol:	-97.18
Dipole, Da:	7.08
IP(EA), eV:	-9.81(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[3-oxo-3-(2-phenylpyrrolidin-1-yl)prop-1-enyl]benzamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C=CC2=CC=C(C=C2)C(=O)NC3CC3

DOS

IR

Vibrations