Geometry & MOs

Info

ID:	16890
PubChem CID:	478627
Reduced:	NO5C25H27 (1)
Stoich.:	AB5C25D27 (1)
Weight, g/mol:	421.188923
ΔH_f, kcal/mol:	-153.45
Dipole, Da:	4.94
IP(EA), eV:	-9.41(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R)-2-benzyl-4-[(2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidin-2-yl]but-3-enoate

Drug info:

PubChemData

Smile

COC(=O)C(=O)N1CCC[C@H]1C=C[C@@H](CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations