Geometry & MOs

Info

ID:

310417

PubChem CID:

126580015

Reduced:

SN2H34C51 (1)

Stoich.:

AB2C34D51 (1)

Weight, g/mol:

666.21297

ΔHf, kcal/mol:

208.5

Dipole, Da:

2.56

IP(EA), eV:

 -7.92(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4-dibenzothiophen-4-ylphenyl)-6,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N4C5=CC=CC=C5C6=C4C7=C(C=C6)C8=CC=CC=C8N7C9=CC=C(C=C9)C1=CC=CC2=C1SC1=CC=CC=C21)C

DOS

IR

Vibrations