Geometry & MOs

Info

ID:	145172
PubChem CID:	53473645
Reduced:	OF3H10C13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	420.287574
ΔH_f, kcal/mol:	-357.7
Dipole, Da:	2.86
IP(EA), eV:	-9.9(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z,4S,5S,6R,7R,8S,9R)-7,9-dihydroxy-4,6,8-trimethyl-5-[(1S)-1-phenylethoxy]dec-2-en-3-yl] 2-methylpropanoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=C(CCCC2)C(=C1)C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations