Geometry & MOs

Info

ID:	41376
PubChem CID:	8145749
Reduced:	ClN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-50.43
Dipole, Da:	9.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770061
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclopropylamino)-2-oxoethyl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@@H]2CCC[NH+]2CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)OC

DOS

IR

Vibrations