Geometry & MOs

Info

ID:	249206
PubChem CID:	103087703
Reduced:	ClSN2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	356.964077
ΔH_f, kcal/mol:	0.53
Dipole, Da:	3.98
IP(EA), eV:	-8.24(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)Cl)NCCCCSC

DOS

IR

Vibrations