Geometry & MOs

Info

ID:	46985
PubChem CID:	10528766
Reduced:	NO7C27H31 (1)
Stoich.:	AB7C27D31 (1)
Weight, g/mol:	481.210052
ΔH_f, kcal/mol:	-249.9
Dipole, Da:	1.39
IP(EA), eV:	-8.9(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S)-4-[1-(4-butoxyphenyl)ethenyl]-3-(carboxymethyl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@H]([C@H](CN1C(=O)OCC2=CC=CC=C2)C(=C)C3=CC=C(C=C3)OC)CC(=O)OC

DOS

IR

Vibrations