Geometry & MOs

Info

ID:

296816

PubChem CID:

117594578

Reduced:

NO8C27H29 (1)

Stoich.:

AB8C27D29 (1)

Weight, g/mol:

820.455034

ΔHf, kcal/mol:

-277.41

Dipole, Da:

6.18

IP(EA), eV:

 -8.69(0.0)

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;2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl benzoate

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC

DOS

IR

Vibrations