Geometry & MOs

Info

ID:	14200
PubChem CID:	406632
Reduced:	ClS2N4O4H17C20 (1)
Stoich.:	AB2C4D4E17F20 (1)
Weight, g/mol:	476.037975
ΔH_f, kcal/mol:	10.42
Dipole, Da:	6.58
IP(EA), eV:	-9.0(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-4-methyl-2-sulfamoylphenyl) N-(4-nitroanilino)benzenecarboximidothioate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)SC(=NNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)S(=O)(=O)N

DOS

IR

Vibrations