Geometry & MOs

Info

ID:	51932
PubChem CID:	12014702
Reduced:	N2O5C35H36 (1)
Stoich.:	A2B5C35D36 (1)
Weight, g/mol:	542.278072
ΔH_f, kcal/mol:	-90.63
Dipole, Da:	4.58
IP(EA), eV:	-8.68(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(1E,2R)-1-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]imino-4-phenylbutan-2-yl]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=CC5=CC=CC=C5C=C4)C(=O)OC

DOS

IR

Vibrations