Geometry & MOs

Info

ID:	246785
PubChem CID:	103064899
Reduced:	BrNOSC8H12 (1)
Stoich.:	ABCDE8F12 (1)
Weight, g/mol:	187.0667
ΔH_f, kcal/mol:	-47.74
Dipole, Da:	5.9
IP(EA), eV:	-8.67(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-(thiolan-3-yl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(C(=O)C1Br)C2CCSC2

DOS

IR

Vibrations