Geometry & MOs

Info

ID:	133294
PubChem CID:	51504859
Reduced:	Cl2N3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	75.73
Dipole, Da:	5.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.007621
Charge, e:	0

Chem-info

IUPAC name:

(5R)-4-[1-(2-hydroxyethylamino)ethylidene]-1-(2-methoxyethyl)-5-phenylpyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C[NH2+]C2(CC2)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations