Geometry & MOs

Info

ID:	295052
PubChem CID:	117513031
Reduced:	ClS2O4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	335.0639
ΔH_f, kcal/mol:	-135.19
Dipole, Da:	7.94
IP(EA), eV:	-8.7(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-difluoro-2-methoxy-4-methylsulfonylphenyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CSC1=C(C=C(C=C1Cl)C2(CC2)CC(=O)O)S(=O)(=O)C

DOS

IR

Vibrations