Geometry & MOs

Info

ID:

150760

PubChem CID:

53790456

Reduced:

O5C16H24 (1)

Stoich.:

A5B16C24 (1)

Weight, g/mol:

520.267233

ΔHf, kcal/mol:

-206.38

Dipole, Da:

6.1

IP(EA), eV:

 -9.14(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8S,9S,10R,11S,13S,14S,17R)-17-(2-butoxycarbonyloxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] methyl carbonate

Drug info:

PubChemData

Smile

CCC(C)OC1=CC(=CC(=C1OC)OC(C)CC)C(=O)O

DOS

IR

Vibrations