Geometry & MOs

Info

ID:	293264
PubChem CID:	117379756
Reduced:	SO2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	250.050905
ΔH_f, kcal/mol:	-71.36
Dipole, Da:	3.96
IP(EA), eV:	-8.58(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-chloropyrazol-1-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1)C2CCSCC2)OC

DOS

IR

Vibrations