Geometry & MOs

Info

ID:

296747

PubChem CID:

117591313

Reduced:

O14H36C39 (1)

Stoich.:

A14B36C39 (1)

Weight, g/mol:

659.418589

ΔHf, kcal/mol:

-469.35

Dipole, Da:

8.39

IP(EA), eV:

 -8.86(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid;8-methoxy-4-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)O)C(=O)O)C)O)C=O)OC.C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations