Geometry & MOs

Info

ID:

215358

PubChem CID:

85084594

Reduced:

F3N5O9C43H46 (1)

Stoich.:

A3B5C9D43E46 (1)

Weight, g/mol:

834.512942

ΔHf, kcal/mol:

-475.74

Dipole, Da:

10.26

IP(EA), eV:

 -9.19(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22,28-diethyl-7,11,14,15,28-pentahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,29-octamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,3',9,13-tetrone

Drug info:

PubChemData

Smile

CC(CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)C(F)(F)F

DOS

IR

Vibrations