Geometry & MOs

Info

ID:

179148

PubChem CID:

76441883

Reduced:

NSiO7C53H75 (1)

Stoich.:

ABC7D53E75 (1)

Weight, g/mol:

424.201652

ΔHf, kcal/mol:

-347.33

Dipole, Da:

2.74

IP(EA), eV:

 -8.53(0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-(3-chloropropoxy)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCC(C=CC1C(CC(C1CC=CCCCCOC(=O)NC)O[Si](CC2=CC=CC=C2)(CC3=CC=CC=C3)CC4=CC=CC=C4)OC5CCCCO5)OC6CCCCO6

DOS

IR

Vibrations