Geometry & MOs

Info

ID:	189288
PubChem CID:	77839018
Reduced:	F2O3C31H42 (1)
Stoich.:	A2B3C31D42 (1)
Weight, g/mol:	504.214803
ΔH_f, kcal/mol:	-243.13
Dipole, Da:	5.58
IP(EA), eV:	-8.68(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-dibenzyl-3,4,5-trihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)CCC(CC)CC(C3CCCCC3)(C(=O)O)F)F

DOS

IR

Vibrations