Geometry & MOs

Info

ID:	249187
PubChem CID:	103087528
Reduced:	NOSC16H25 (1)
Stoich.:	ABCD16E25 (1)
Weight, g/mol:	356.964077
ΔH_f, kcal/mol:	-42.56
Dipole, Da:	2.93
IP(EA), eV:	-7.8(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCCCCNC1=CC=C(C=C1)OC2CCCC2

DOS

IR

Vibrations