Geometry & MOs

Info

ID:

427804

PubChem CID:

135163152

Reduced:

NH20C30 (2)

Stoich.:

AB20C30 (2)

Weight, g/mol:

575.170771

ΔHf, kcal/mol:

260.76

Dipole, Da:

1.61

IP(EA), eV:

 -8.15(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-dibenzothiophen-2-yl-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=C(C=C(C=C3)C4=CC=CC=C4)C5=CC6=CC=CC=C6C7=C5C8=CC=CC=C8C9=C7N(C1=CC=CC=C19)C1=CC=C(C=C1)C1=CC=CC=C1

DOS

IR

Vibrations