Geometry & MOs

Info

ID:	51931
PubChem CID:	12014701
Reduced:	N2O5C31H34 (1)
Stoich.:	A2B5C31D34 (1)
Weight, g/mol:	564.262422
ΔH_f, kcal/mol:	-104.11
Dipole, Da:	5.3
IP(EA), eV:	-8.7(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C([C@H](/C=N/N1CCC[C@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations