Geometry & MOs

Info

ID:	390366
PubChem CID:	134998714
Reduced:	SN2O3C10H12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	398.039499
ΔH_f, kcal/mol:	1.39
Dipole, Da:	5.36
IP(EA), eV:	-8.86(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-(5,5-dioxobenzo[c][1,2]benzothiazin-9-ylidene)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)[S@](=O)/N=C/C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations