Geometry & MOs

Info

ID:	62734
PubChem CID:	26736420
Reduced:	ClSN2O4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	432.171893
ΔH_f, kcal/mol:	-88.16
Dipole, Da:	9.41
IP(EA), eV:	-8.72(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(azepan-1-ylsulfonyl)-N-(2-ethoxyphenyl)-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C3=CC=CC=C3

DOS

IR

Vibrations