Geometry & MOs

Info

ID:

162542

PubChem CID:

57394995

Reduced:

FN3O3C20H20 (1)

Stoich.:

AB3C3D20E20 (1)

Weight, g/mol:

464.295801

ΔHf, kcal/mol:

-97.02

Dipole, Da:

5.95

IP(EA), eV:

 -9.78(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)F)C2=NN=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations