Geometry & MOs

Info

ID:	14203
PubChem CID:	406636
Reduced:	ClS2N5O6H16C20 (1)
Stoich.:	AB2C5D6E16F20 (1)
Weight, g/mol:	521.023053
ΔH_f, kcal/mol:	10.43
Dipole, Da:	9.36
IP(EA), eV:	-9.51(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations