Geometry & MOs

Info

ID:	209943
PubChem CID:	80742572
Reduced:	ClS2N4O4H5C8 (1)
Stoich.:	AB2C4D4E5F8 (1)
Weight, g/mol:	279.937927
ΔH_f, kcal/mol:	-4.59
Dipole, Da:	3.87
IP(EA), eV:	-9.99(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-nitro-N-prop-2-ynylthiophene-2-sulfonamide

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)NS(=O)(=O)C2=CC(=C(S2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations