Geometry & MOs

Info

ID:	61470
PubChem CID:	26709772
Reduced:	Cl2N2O2H14C17 (1)
Stoich.:	A2B2C2D14E17 (1)
Weight, g/mol:	441.172228
ΔH_f, kcal/mol:	-53.58
Dipole, Da:	5.68
IP(EA), eV:	-8.8(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azepan-1-ylsulfonyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations