Geometry & MOs

Info

ID:

309719

PubChem CID:

126556059

Reduced:

SF3O3N4H23C26 (1)

Stoich.:

AB3C3D4E23F26 (1)

Weight, g/mol:

290.260966

ΔHf, kcal/mol:

-165.46

Dipole, Da:

5.91

IP(EA), eV:

 -9.78(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(N=C2)N(C(=N3)CC4=CC=C(C=C4)C(F)(F)F)C5CC5

DOS

IR

Vibrations