Geometry & MOs

Info

ID:

303672

PubChem CID:

124490030

Reduced:

NO5C17H25 (1)

Stoich.:

AB5C17D25 (1)

Weight, g/mol:

344.198759

ΔHf, kcal/mol:

-268.51

Dipole, Da:

4.5

IP(EA), eV:

 -10.12(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,9S,10R,11R,13R,14R,17R)-11-hydroxy-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxetane]-3,3'-dione

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)OC(=O)C)C

DOS

IR

Vibrations