Geometry & MOs

Info

ID:	158650
PubChem CID:	56464429
Reduced:	SN2O5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	402.128314
ΔH_f, kcal/mol:	-158.67
Dipole, Da:	2.3
IP(EA), eV:	-9.5(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-ylsulfonyl)-N-(2-ethylsulfonylethyl)benzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CCC3=CC=CC=C3

DOS

IR

Vibrations