Geometry & MOs

Info

ID:

296865

PubChem CID:

117597584

Reduced:

O3C14H15 (2)

Stoich.:

A3B14C15 (2)

Weight, g/mol:

852.22655

ΔHf, kcal/mol:

-182.36

Dipole, Da:

7.0

IP(EA), eV:

 -9.16(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;11-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one

Drug info:

PubChemData

Smile

CC(C)C1=C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC.CC(=CCC1=C(C=CC(=C1)C(=O)C)O)C

DOS

IR

Vibrations