Geometry & MOs

Info

ID:	51937
PubChem CID:	12014707
Reduced:	S2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	514.246772
ΔH_f, kcal/mol:	-129.43
Dipole, Da:	3.69
IP(EA), eV:	-8.86(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(1R,2E)-2-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]imino-1-phenylethyl]propanedioate

Drug info:

PubChemData

Smile

COC(=O)C([C@H](C1SCCS1)C2=CC3=CC=CC=C3C=C2)C(=O)OC

DOS

IR

Vibrations