Geometry & MOs

Info

ID:

310418

PubChem CID:

126580028

Reduced:

SN2H30C48 (1)

Stoich.:

AB2C30D48 (1)

Weight, g/mol:

706.24427

ΔHf, kcal/mol:

218.96

Dipole, Da:

2.55

IP(EA), eV:

 -7.79(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4-dibenzothiophen-4-ylphenyl)-14-(9,9-dimethylfluoren-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(N3C5=CC=C(C=C5)C6=CC=CC7=C6SC8=CC=CC=C78)C=CC9=C4C1=CC=CC=C1N9C1=CC=CC=C1

DOS

IR

Vibrations