Geometry & MOs

Info

ID:

161995

PubChem CID:

57393269

Reduced:

N2O2F3H17C20 (1)

Stoich.:

A2B2C3D17E20 (1)

Weight, g/mol:

588.327101

ΔHf, kcal/mol:

-163.27

Dipole, Da:

6.85

IP(EA), eV:

 -8.83(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-5-[[tert-butyl(diphenyl)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)C1=CC=CC=C1NC(=O)C2=C(OC(=N2)C3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations