Geometry & MOs

Info

ID:

400512

PubChem CID:

135048171

Reduced:

SF3O5C18H23 (1)

Stoich.:

AB3C5D18E23 (1)

Weight, g/mol:

362.209324

ΔHf, kcal/mol:

-357.13

Dipole, Da:

4.2

IP(EA), eV:

 -9.52(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,9R,10S,13S,14S,17S)-17-acetyl-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Drug info:

PubChemData

Smile

CC1(C[C@H]2[C@@H](C1)O[C@@H]([C@@H]2OCC3=CC=CC=C3)COS(=O)(=O)C(F)(F)F)C

DOS

IR

Vibrations