Geometry & MOs

Info

ID:

188501

PubChem CID:

77724250

Reduced:

ON7C17H23 (1)

Stoich.:

AB7C17D23 (1)

Weight, g/mol:

490.32785

ΔHf, kcal/mol:

23.48

Dipole, Da:

3.73

IP(EA), eV:

 -8.56(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[tert-butyl(dimethyl)silyl]oxy-7-ethyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]-2-fluoroacetic acid

Drug info:

PubChemData

Smile

CC(C)N1C=NC2=C(N=C(N=C21)NCCC(C)O)NC3=CC=NC=C3

DOS

IR

Vibrations