Geometry & MOs

Info

ID:	14204
PubChem CID:	406638
Reduced:	ClS2N4O4C18H21 (1)
Stoich.:	AB2C4D4E18F21 (1)
Weight, g/mol:	456.069275
ΔH_f, kcal/mol:	-42.97
Dipole, Da:	9.14
IP(EA), eV:	-8.83(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-4-methyl-2-sulfamoylphenyl) 3-methyl-N-(4-nitroanilino)butanimidothioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations