Geometry & MOs

Info

ID:

139004

PubChem CID:

52456798

Reduced:

NSO3C16H16 (1)

Stoich.:

ABC3D16E16 (1)

Weight, g/mol:

303.092915

ΔHf, kcal/mol:

-29.06

Dipole, Da:

1.34

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.787102

Charge, e:

 0

Chem-info

IUPAC name:

4-ethyl-N-(2-methylphenyl)sulfonylbenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=CC=C2C)[O-]

DOS

IR

Vibrations