Geometry & MOs

Info

ID:	130228
PubChem CID:	51075323
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-28.85
Dipole, Da:	4.19
IP(EA), eV:	-9.25(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COCC(=O)NC1=NC=C(S1)CC2=CC=CC=C2

DOS

IR

Vibrations