Geometry & MOs

Info

ID:	209944
PubChem CID:	80742573
Reduced:	ClN2S2O4H5C7 (1)
Stoich.:	AB2C2D4E5F7 (1)
Weight, g/mol:	443.85022
ΔH_f, kcal/mol:	-1.23
Dipole, Da:	5.16
IP(EA), eV:	-10.41(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(4-iodophenyl)-4-nitrothiophene-2-sulfonamide

Drug info:

PubChemData

Smile

C#CCNS(=O)(=O)C1=CC(=C(S1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations