Geometry & MOs

Info

ID:	209939
PubChem CID:	80741696
Reduced:	ClS2N4O4C9H9 (1)
Stoich.:	AB2C4D4E9F9 (1)
Weight, g/mol:	340.031827
ΔH_f, kcal/mol:	-10.91
Dipole, Da:	4.74
IP(EA), eV:	-9.37(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(3-ethylpentan-2-yl)-4-nitrothiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NS(=O)(=O)C2=CC(=C(S2)Cl)[N+](=O)[O-])C

DOS

IR

Vibrations