Geometry & MOs

Info

ID:	60615
PubChem CID:	26697284
Reduced:	ClSN3O6H20C22 (1)
Stoich.:	ABC3D6E20F22 (1)
Weight, g/mol:	372.150764
ΔH_f, kcal/mol:	-105.28
Dipole, Da:	9.35
IP(EA), eV:	-8.87(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)Cl

DOS

IR

Vibrations