Geometry & MOs

Info

ID:

214487

PubChem CID:

85083115

Reduced:

O4C16H17 (2)

Stoich.:

A4B16C17 (2)

Weight, g/mol:

540.214803

ΔHf, kcal/mol:

-266.35

Dipole, Da:

5.43

IP(EA), eV:

 -9.03(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[2-(7-hydroxy-2-oxochromen-6-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,8-tetraen-5-one

Drug info:

PubChemData

Smile

CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)OCC)OCCOC3CCC4C(C3)OC=C(C4=O)C5=CC=CC=C5

DOS

IR

Vibrations