Geometry & MOs

Info

ID:

435976

PubChem CID:

135193122

Reduced:

O3C10H14 (1)

Stoich.:

A3B10C14 (1)

Weight, g/mol:

696.209616

ΔHf, kcal/mol:

-118.43

Dipole, Da:

3.23

IP(EA), eV:

 -9.36(0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2[C@H]([C@H]3C(=C)O[C@H]([C@@H]1O3)O2)C

DOS

IR

Vibrations