Geometry & MOs

Info

ID:

125231

PubChem CID:

50916024

Reduced:

SN2O5C35H36 (1)

Stoich.:

AB2C5D35E36 (1)

Weight, g/mol:

498.256864

ΔHf, kcal/mol:

-124.79

Dipole, Da:

6.96

IP(EA), eV:

 -8.65(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,13-dimethyl-17-[(E)-5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pent-2-enyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

Drug info:

PubChemData

Smile

CCOC(=O)C1=C[C@H](N2[C@@H](C1)O[C@H]3[C@@H]2C4=C(C3)C=CC=C4C(C)C)C5=CN(C6=CC=CC=C65)S(=O)(=O)C7=CC=C(C=C7)C

DOS

IR

Vibrations