Geometry & MOs

Info

ID:

380580

PubChem CID:

134971065

Reduced:

O3H20C22 (1)

Stoich.:

A3B20C22 (1)

Weight, g/mol:

606.246497

ΔHf, kcal/mol:

-51.72

Dipole, Da:

2.99

IP(EA), eV:

 -9.52(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S,4S)-5-[(1S,3S,4S)-4,10-dihydroxy-7,9-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromen-6-yl]-7,9-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol

Drug info:

PubChemData

Smile

COC1OC(C(O1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations