Geometry & MOs

Info

ID:	47004
PubChem CID:	10528898
Reduced:	FO5N7C22H24 (1)
Stoich.:	AB5C7D22E24 (1)
Weight, g/mol:	485.183838
ΔH_f, kcal/mol:	-172.86
Dipole, Da:	4.52
IP(EA), eV:	-9.13(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R)-3-(carboxymethyl)-1-phenylmethoxycarbonyl-4-[1-(3-phenylphenyl)ethenyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C(N=CN=C43)NC(=O)NC5=CC=CC=C5F)OC(O2)(C)C

DOS

IR

Vibrations