Geometry & MOs

Info

ID:	382650
PubChem CID:	134973928
Reduced:	O3C8H8 (3)
Stoich.:	A3B8C8 (3)
Weight, g/mol:	350.172939
ΔH_f, kcal/mol:	-260.46
Dipole, Da:	8.73
IP(EA), eV:	-8.36(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methoxymethyl (1R,2R,3R)-1,2-dihydroxy-3-methyl-1-(3-methylbutyl)-4-oxo-3H-naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=C2C(=C(C(=O)O2)C3=CC(=C(C(=C3)OC)OC)OC)OC)C(=O)OC

DOS

IR

Vibrations