Geometry & MOs

Info

ID:

148813

PubChem CID:

53788482

Reduced:

FNCl2O5H22C25 (1)

Stoich.:

ABC2D5E22F25 (1)

Weight, g/mol:

330.25588

ΔHf, kcal/mol:

-194.97

Dipole, Da:

6.03

IP(EA), eV:

 -8.55(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,8R,9S,10R,13S,14S,17S)-17-hydroxy-4,6,10,13,17-pentamethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)F)OC)C2=CC=C(C=C2)C[C@@H](C(=O)OC)NC(=O)C3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations