Geometry & MOs

Info

ID:	206435
PubChem CID:	80250184
Reduced:	NS2O4C9H13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	301.019098
ΔH_f, kcal/mol:	-146.69
Dipole, Da:	3.09
IP(EA), eV:	-8.93(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methylthiophen-3-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CSC=C1CNS(=O)(=O)C(C)C(=O)O

DOS

IR

Vibrations