Geometry & MOs

Info

ID:	125240
PubChem CID:	50916521
Reduced:	FO4C24H31 (1)
Stoich.:	AB4C24D31 (1)
Weight, g/mol:	417.269921
ΔH_f, kcal/mol:	-214.82
Dipole, Da:	3.51
IP(EA), eV:	-8.98(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-4-phenylbutyl]-5-(2-methylpropyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1[C@@H](C(C([C@H]1F)/C=C/[C@@H](C2CC3=CC=CC=C3C2)O)C/C=C\CCCC(=O)O)O

DOS

IR

Vibrations