Geometry & MOs

Info

ID:

220147

PubChem CID:

85165296

Reduced:

O5C19H22 (2)

Stoich.:

A5B19C22 (2)

Weight, g/mol:

660.266445

ΔHf, kcal/mol:

-341.04

Dipole, Da:

3.91

IP(EA), eV:

 -9.67(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,18,27-tris(4-methylphenyl)heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene-9,18,27-triol

Drug info:

PubChemData

Smile

CC1=C2C(C3C4(C(CC5C(C4C(C(C2(C)C)CC1OC(=O)C)OC(=O)C6=CC=CC=C6)(CO5)OC(=O)C)OC(O3)C7=CC=CC=C7)C)O

DOS

IR

Vibrations