Geometry & MOs

Info

ID:	26282
PubChem CID:	643528
Reduced:	OSCl2H6C7 (1)
Stoich.:	ABC2D6E7 (1)
Weight, g/mol:	460.209718
ΔH_f, kcal/mol:	-40.62
Dipole, Da:	2.17
IP(EA), eV:	-9.18(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,5S)-5-acetyloxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-yl] acetate

Drug info:

PubChemData

Smile

CSC1=C(C=C(C=C1Cl)Cl)O

DOS

IR

Vibrations