Geometry & MOs

Info

ID:	200515
PubChem CID:	79403920
Reduced:	OSBr2H12C14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	255.066221
ΔH_f, kcal/mol:	17.34
Dipole, Da:	3.8
IP(EA), eV:	-8.93(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SCCOC2=C(C=CC=C2Br)Br

DOS

IR

Vibrations