Geometry & MOs

Info

ID:

379463

PubChem CID:

134434042

Reduced:

NOH13C24 (1)

Stoich.:

ABC13D24 (1)

Weight, g/mol:

767.214367

ΔHf, kcal/mol:

104.76

Dipole, Da:

0.86

IP(EA), eV:

 -8.35(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

23-dibenzothiophen-2-yl-12-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)-12,19-diazaoctacyclo[17.10.1.02,18.04,16.05,13.06,11.020,25.026,30]triaconta-1(29),2(18),3,5(13),6,8,10,14,16,20(25),21,23,26(30),27-tetradecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C4N2C5=C(C4=CC=C3)C=C6C7=CC=CC=C7OC6=C5

DOS

IR

Vibrations