Geometry & MOs

Info

ID:	343290
PubChem CID:	127266463
Reduced:	ClSN4O6H17C20 (1)
Stoich.:	ABC4D6E17F20 (1)
Weight, g/mol:	445.049919
ΔH_f, kcal/mol:	-72.23
Dipole, Da:	3.83
IP(EA), eV:	-9.32(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-3-[[[(Z)-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C/C(=C\1/C=CC(=O)C=C1O)/NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations