Geometry & MOs

Info

ID:

229752

PubChem CID:

87568793

Reduced:

ClSN3O3F4C24H24 (1)

Stoich.:

ABC3D3E4F24G24 (1)

Weight, g/mol:

319.193614

ΔHf, kcal/mol:

-281.5

Dipole, Da:

6.28

IP(EA), eV:

 -9.05(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-15,16-dimethylidene-3-oxo-6,7,8,9,11,12,14,17-octahydrocyclopenta[a]phenanthrene-17-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C(SC(=N1)NC(=O)C2=CC(=CN2CC3=CC(=C(C=C3)F)C(F)(F)F)CC(C)C)Cl

DOS

IR

Vibrations