Geometry & MOs

Info

ID:

51108

PubChem CID:

12013732

Reduced:

OH16C21 (2)

Stoich.:

AB16C21 (2)

Weight, g/mol:

568.24023

ΔHf, kcal/mol:

82.5

Dipole, Da:

0.66

IP(EA), eV:

 -8.51(-0.57)

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-methylphenyl)-12-[(Z)-2-(2-methylphenyl)ethenyl]-11-oxatetracyclo[8.5.0.02,7.012,15]pentadeca-1(10),2,4,6,8-pentaene

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2C(C(C2C3=CC4=C(O3)C=CC5=CC=CC=C54)C6=CC=CC=C6C)C7=CC8=C(O7)C=CC9=CC=CC=C98

DOS

IR

Vibrations