Geometry & MOs

Info

ID:	249270
PubChem CID:	103088206
Reduced:	ClNSC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	353.005548
ΔH_f, kcal/mol:	-5.55
Dipole, Da:	1.22
IP(EA), eV:	-8.44(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Cl)NCCCCSC

DOS

IR

Vibrations