Geometry & MOs

Info

ID:	43817
PubChem CID:	10321830
Reduced:	OSN2H8C12 (2)
Stoich.:	ABC2D8E12 (2)
Weight, g/mol:	398.096323
ΔH_f, kcal/mol:	82.95
Dipole, Da:	7.08
IP(EA), eV:	-9.0(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[(2-cyanophenyl)methyl]-5-phenyl-1,2,4-oxathiazol-4-ium-3-ylidene]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=[N+](C(=NC(=O)C3=CC=CC=C3)SO2)CC4=CC=CC=C4C#N.C(#N)[S-]

DOS

IR

Vibrations