Geometry & MOs

Info

ID:	51933
PubChem CID:	12014703
Reduced:	N2O5C33H38 (1)
Stoich.:	A2B5C33D38 (1)
Weight, g/mol:	466.246772
ΔH_f, kcal/mol:	-120.16
Dipole, Da:	3.03
IP(EA), eV:	-8.51(-0.05)
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]iminobutan-2-yl]propanedioate

Drug info:

PubChemData

Smile

COC(=O)C([C@@H](CCC1=CC=CC=C1)/C=N/N2CCC[C@H]2C(C3=CC=CC=C3)(C4=CC=CC=C4)OC)C(=O)OC

DOS

IR

Vibrations