Geometry & MOs

Info

ID:

148465

PubChem CID:

53788127

Reduced:

NF2O5C36H43 (1)

Stoich.:

AB2C5D36E43 (1)

Weight, g/mol:

796.567741

ΔHf, kcal/mol:

-343.85

Dipole, Da:

2.2

IP(EA), eV:

 -9.52(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[(1S,3R,9R,10R,13S,14R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-17-ethyl-10,13-dimethyl-1,2,3,4,11,12,14,15-octahydrocyclopenta[a]phenanthren-9-yl]oxy]-3-ethylhex-4-yn-3-yl]oxy-triethylsilane

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C(=O)OC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5OC(F)F)C(=O)OC67CC8CC(C6)CC(C8)C7)C

DOS

IR

Vibrations