Geometry & MOs

Info

ID:	37938
PubChem CID:	8025663
Reduced:	O4N5C20H21 (1)
Stoich.:	A4B5C20D21 (1)
Weight, g/mol:	315.104148
ΔH_f, kcal/mol:	-65.07
Dipole, Da:	3.12
IP(EA), eV:	-8.61(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5-oxo-1-(2-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations