Geometry & MOs

Info

ID:

47060

PubChem CID:

10529234

Reduced:

ON2H30C35 (1)

Stoich.:

AB2C30D35 (1)

Weight, g/mol:

494.397125

ΔHf, kcal/mol:

103.95

Dipole, Da:

4.78

IP(EA), eV:

 -8.58(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,6R)-6-[(5S,5aS,6S,9aS,9bR)-5-hydroxy-6-(2-hydroxyethyl)-7-(1-hydroxy-2-methylpropan-2-yl)-6,9a,9b-trimethyl-1,2,4,5,5a,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylheptane-2,4-diol

Drug info:

PubChemData

Smile

CCC(C1=CC=CC2=CC=CC=C21)(C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O

DOS

IR

Vibrations