Geometry & MOs

Info

ID:

190011

PubChem CID:

77940636

Reduced:

NO2F3C13H14 (1)

Stoich.:

AB2C3D13E14 (1)

Weight, g/mol:

788.543849

ΔHf, kcal/mol:

-238.28

Dipole, Da:

6.03

IP(EA), eV:

 -9.76(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22,28-diethyl-7,11,14-trihydroxy-6'-(2-hydroxypropyl)-6,8,10,12,14,15,16,29-octamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCC(C2)O)C(F)(F)F

DOS

IR

Vibrations