Geometry & MOs

Info

ID:	163393
PubChem CID:	57929474
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	345.139865
ΔH_f, kcal/mol:	-117.13
Dipole, Da:	6.27
IP(EA), eV:	-8.95(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-1-[4-(1-hydroxypropyl)phenyl]-5-(thiophen-2-ylmethoxymethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)C1=CN=C(N=C1NC2CCCCC2)SC

DOS

IR

Vibrations