Geometry & MOs

Info

ID:	14201
PubChem CID:	406633
Reduced:	ClS2N4O4H19C21 (1)
Stoich.:	AB2C4D4E19F21 (1)
Weight, g/mol:	490.053625
ΔH_f, kcal/mol:	-3.09
Dipole, Da:	9.54
IP(EA), eV:	-8.78(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=NNC2=CC=C(C=C2)[N+](=O)[O-])SC3=C(C=C(C(=C3)Cl)C)S(=O)(=O)N

DOS

IR

Vibrations