Geometry & MOs

Info

ID:	209572
PubChem CID:	80688482
Reduced:	ClNSO2C11H16 (1)
Stoich.:	ABCD2E11F16 (1)
Weight, g/mol:	237.111341
ΔH_f, kcal/mol:	-83.66
Dipole, Da:	4.84
IP(EA), eV:	-9.71(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCl)NS(=O)(=O)CCC1=CC=CC=C1

DOS

IR

Vibrations