Geometry & MOs

Info

ID:

219631

PubChem CID:

85163872

Reduced:

O9H24C28 (1)

Stoich.:

A9B24C28 (1)

Weight, g/mol:

507.319603

ΔHf, kcal/mol:

-243.02

Dipole, Da:

5.87

IP(EA), eV:

 -9.65(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3-ethenyl-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl) N-(cyclohexylmethyl)carbamate

Drug info:

PubChemData

Smile

COC(=O)C12C(O1)C(C(C(O2)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations