Geometry & MOs

Info

ID:	37873
PubChem CID:	8025206
Reduced:	SN2O3H15C19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	411.071134
ΔH_f, kcal/mol:	-9.79
Dipole, Da:	3.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.521795
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanothiophen-2-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations