Geometry & MOs

Info

ID:

51103

PubChem CID:

12013727

Reduced:

OH14C20 (2)

Stoich.:

AB14C20 (2)

Weight, g/mol:

592.24023

ΔHf, kcal/mol:

99.86

Dipole, Da:

0.18

IP(EA), eV:

 -8.51(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(12R,13R,14R,15S)-13-benzo[e][1]benzofuran-2-yl-14-(2-ethenylphenyl)-12-[(Z)-2-(2-ethenylphenyl)ethenyl]-11-oxatetracyclo[8.5.0.02,7.012,15]pentadeca-1(10),2,4,6,8-pentaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(C(C2C3=CC4=C(O3)C=CC5=CC=CC=C54)C6=CC=CC=C6)C7=CC8=C(O7)C=CC9=CC=CC=C98

DOS

IR

Vibrations