Geometry & MOs

Info

ID:	57945
PubChem CID:	24398004
Reduced:	ClSN3O4C19H20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	449.117605
ΔH_f, kcal/mol:	-129.16
Dipole, Da:	4.53
IP(EA), eV:	-8.87(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamidophenyl)-3-(azepan-1-ylsulfonyl)-4-chlorobenzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations