Geometry & MOs

Info

ID:	249196
PubChem CID:	103087649
Reduced:	FN2O2S2C12H19 (1)
Stoich.:	AB2C2D2E12F19 (1)
Weight, g/mol:	354.984813
ΔH_f, kcal/mol:	-121.59
Dipole, Da:	6.01
IP(EA), eV:	-8.42(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichloro-3-fluorophenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CSCCCCNC1=CC(=C(C=C1)F)NS(=O)(=O)C

DOS

IR

Vibrations