Geometry & MOs

Info

ID:

6444

PubChem CID:

68627

Reduced:

SiO2C22H36 (1)

Stoich.:

AB2C22D36 (1)

Weight, g/mol:

360.248457

ΔHf, kcal/mol:

-179.34

Dipole, Da:

4.4

IP(EA), eV:

 -9.75(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C)(C)C)CCC4=CC(=O)CC[C@]34C

DOS

IR

Vibrations