Geometry & MOs

Info

ID:	209938
PubChem CID:	80741638
Reduced:	ClN3S3O4H8C9 (1)
Stoich.:	AB3C3D4E8F9 (1)
Weight, g/mol:	335.975375
ΔH_f, kcal/mol:	-24.18
Dipole, Da:	4.41
IP(EA), eV:	-9.4(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NS(=O)(=O)C2=CC(=C(S2)Cl)[N+](=O)[O-])C

DOS

IR

Vibrations