Geometry & MOs

Info

ID:	158681
PubChem CID:	56464663
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	424.112664
ΔH_f, kcal/mol:	-53.63
Dipole, Da:	6.08
IP(EA), eV:	-9.2(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CCC3=CC=CC=C3)N(C)C4CC4

DOS

IR

Vibrations