Geometry & MOs

Info

ID:	159711
PubChem CID:	57288654
Reduced:	OC18H22 (1)
Stoich.:	AB18C22 (1)
Weight, g/mol:	448.173332
ΔH_f, kcal/mol:	-30.58
Dipole, Da:	1.1
IP(EA), eV:	-8.79(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,6-dimethyl-4-[3-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)OC3CCCCC3

DOS

IR

Vibrations