Geometry & MOs

Info

ID:

385632

PubChem CID:

134979587

Reduced:

OC20H28 (1)

Stoich.:

AB20C28 (1)

Weight, g/mol:

540.34373

ΔHf, kcal/mol:

-52.32

Dipole, Da:

2.09

IP(EA), eV:

 -8.87(0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CCC[C@@]2(C1CCC3=C2C=CC(=C3OC)C(C)C)C

DOS

IR

Vibrations