Geometry & MOs

Info

ID:

231533

PubChem CID:

87574058

Reduced:

SN3O3F5C22H24 (1)

Stoich.:

AB3C3D5E22F24 (1)

Weight, g/mol:

298.229666

ΔHf, kcal/mol:

-335.84

Dipole, Da:

2.72

IP(EA), eV:

 -9.67(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S,8R,9S,10S,13S,14R)-10,13-dimethyl-15,16-dimethylidene-1,2,3,4,5,6,7,8,9,11,12,14-dodecahydrocyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CC(C)CC1=C(C=CC(=N1)C(F)(F)F)/C=C/C(=O)NC(C)C2=CC(=C(C(=C2)F)NS(=O)(=O)C)F

DOS

IR

Vibrations