Geometry & MOs

Info

ID:

188502

PubChem CID:

77724750

Reduced:

FSiO3C29H47 (1)

Stoich.:

ABC3D29E47 (1)

Weight, g/mol:

576.401015

ΔHf, kcal/mol:

-197.77

Dipole, Da:

5.38

IP(EA), eV:

 -8.65(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[7-butyl-3-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-10,13-dimethyl-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-2-fluoroacetate

Drug info:

PubChemData

Smile

CCC1C=C2CC(CCC2(C3C1C4CCC(=C(C(=O)O)F)C4(CC3)C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations