Geometry & MOs

Info

ID:

395451

PubChem CID:

135025512

Reduced:

ON2S2Cl3F3H6C12 (1)

Stoich.:

AB2C2D3E3F6G12 (1)

Weight, g/mol:

922.526301

ΔHf, kcal/mol:

-154.55

Dipole, Da:

4.99

IP(EA), eV:

-9.33(-1.72)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

6-(1-hydroxyethyl)-12-(1-hydroxypropan-2-yl)-10,24,25-trimethyl-15,21-bis(2-methylpropyl)-3,9-di(propan-2-yl)spiro[4,16,22-trioxa-1,7,10,13,19,25-hexazabicyclo[25.3.0]triacontane-18,1'-cyclopropane]-2,5,8,11,14,17,20,23,26-nonone

Drug info:

PubChemData

Smile

CSC1=NC(=C(S1)C(=O)NC2=C(C=C(C=C2Cl)Cl)Cl)C(F)(F)F

DOS

IR

Vibrations