Geometry & MOs

Info

ID:

179505

PubChem CID:

76490677

Reduced:

NCl2O8C40H47 (1)

Stoich.:

AB2C8D40E47 (1)

Weight, g/mol:

507.334859

ΔHf, kcal/mol:

-252.64

Dipole, Da:

5.89

IP(EA), eV:

 -8.61(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[1-[5-hydroxy-2-methyl-5-[1-(4-methyl-1,3-oxazol-2-yl)cyclopropyl]pent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)COC2CN(CC(C2C3=CC=C(C=C3)OCCCOCC4=CC=CC=C4)OCC5=CC(=CC(=C5)OC)OC)C(Cl)Cl)OC

DOS

IR

Vibrations