Geometry & MOs

Info

ID:	401596
PubChem CID:	135051779
Reduced:	NPO2C8H9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	323.098
ΔH_f, kcal/mol:	34.95
Dipole, Da:	8.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.866496
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonylmethyl)-4-phenylaniline

Drug info:

PubChemData

Smile

C[C]1[CH][P][C]([C]1C)/C=C/[N+](=O)[O-]

DOS

IR

Vibrations