Geometry & MOs

Info

ID:	12956
PubChem CID:	219111
Reduced:	ClSN3O3C13H18 (1)
Stoich.:	ABC3D3E13F18 (1)
Weight, g/mol:	331.07574
ΔH_f, kcal/mol:	-105.82
Dipole, Da:	6.61
IP(EA), eV:	-9.79(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-3-(4-chlorophenyl)sulfonylurea

Drug info:

PubChemData

Smile

C1CCCN(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations