Geometry & MOs

Info

ID:	165833
PubChem CID:	74603492
Reduced:	O9C20H21 (1)
Stoich.:	A9B20C21 (1)
Weight, g/mol:	496.173332
ΔH_f, kcal/mol:	-325.47
Dipole, Da:	4.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.219390
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OC3C(C(C(C(O3)C(=O)[O-])O)O)O

DOS

IR

Vibrations