Geometry & MOs

Info

ID:	208034
PubChem CID:	80482621
Reduced:	NS2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	274.96156
ΔH_f, kcal/mol:	-120.77
Dipole, Da:	3.07
IP(EA), eV:	-9.2(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromothiophen-2-yl)methyl]-4-hydroxypyrrolidin-2-one

Drug info:

PubChemData

Smile

CS(=O)(=O)CC(=O)NCC1=C(C=CS1)C#CCCO

DOS

IR

Vibrations