Geometry & MOs

Info

ID:

159295

PubChem CID:

57269484

Reduced:

SiO3C23H30 (1)

Stoich.:

AB3C23D30 (1)

Weight, g/mol:

449.292994

ΔHf, kcal/mol:

-156.07

Dipole, Da:

2.57

IP(EA), eV:

 -9.0(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-6-[(N-methylanilino)methyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3CCC(CC3)OC=O

DOS

IR

Vibrations