Geometry & MOs

Info

ID:	165832
PubChem CID:	74603491
Reduced:	O2H15C19 (1)
Stoich.:	A2B15C19 (1)
Weight, g/mol:	405.118557
ΔH_f, kcal/mol:	26.02
Dipole, Da:	4.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.093295
Charge, e:	-1

Chem-info

IUPAC name:

3,4,5-trihydroxy-6-[2-(6-methoxynaphthalen-2-yl)propanoyloxy]oxane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)C(=O)[O-])C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations