Geometry & MOs

Info

ID:	14202
PubChem CID:	406634
Reduced:	ClS2N4O5H19C21 (1)
Stoich.:	AB2C4D5E19F21 (1)
Weight, g/mol:	506.04854
ΔH_f, kcal/mol:	-36.67
Dipole, Da:	9.96
IP(EA), eV:	-8.55(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-4-methyl-2-sulfamoylphenyl) 4-methoxy-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)OC)S(=O)(=O)N

DOS

IR

Vibrations