Geometry & MOs

Info

ID:

388946

PubChem CID:

134990710

Reduced:

ClNOC14H22 (1)

Stoich.:

ABCD14E22 (1)

Weight, g/mol:

408.267588

ΔHf, kcal/mol:

-72.81

Dipole, Da:

2.2

IP(EA), eV:

 -9.3(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,5R,6R,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-6-fluoro-5-hydroxy-10,13,16-trimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(C)C(=N)OC.Cl

DOS

IR

Vibrations