Geometry & MOs

Info

ID:	45834
PubChem CID:	10518048
Reduced:	O3C19H20 (1)
Stoich.:	A3B19C20 (1)
Weight, g/mol:	296.10823
ΔH_f, kcal/mol:	-81.88
Dipole, Da:	3.43
IP(EA), eV:	-9.03(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-hydroxy-7-methyl-6-oxo-3-phenylsulfanyloctanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)/C=C(\C)/C1=CC=C(C=C1)OCC2=CC=CC=C2

DOS

IR

Vibrations