Geometry & MOs

Info

ID:

150835

PubChem CID:

53790531

Reduced:

N2O4H14C15 (1)

Stoich.:

A2B4C14D15 (1)

Weight, g/mol:

438.330937

ΔHf, kcal/mol:

-130.1

Dipole, Da:

10.7

IP(EA), eV:

 -8.01(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,9S,10R,13R,14S,17R)-17-[(2R)-5,5-difluoro-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

C1CC2=C(C(=O)C1)C(=CN2)C(=O)NC3=CC(=C(C=C3)O)O

DOS

IR

Vibrations