Geometry & MOs

Info

ID:	308335
PubChem CID:	125326230
Reduced:	OC5H9 (4)
Stoich.:	AB5C9 (4)
Weight, g/mol:	548.192544
ΔH_f, kcal/mol:	-237.43
Dipole, Da:	8.33
IP(EA), eV:	-9.95(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-[2-[2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]-2-oxoethyl]-2-hydroxybutanedioic acid

Drug info:

PubChemData

Smile

CCCCC[C@@H](/C=C/[C@@H]1CC[C@H]([C@H]1CCCCCCC(=O)O)O)O

DOS

IR

Vibrations