Geometry & MOs

Info

ID:

378556

PubChem CID:

134224647

Reduced:

FN3H28C43 (1)

Stoich.:

AB3C28D43 (1)

Weight, g/mol:

784.175539

ΔHf, kcal/mol:

146.75

Dipole, Da:

2.2

IP(EA), eV:

 -8.19(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-[7-(4-phenylbenzo[h]quinazolin-2-yl)dibenzothiophen-2-yl]-12-thia-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(22),18,20,23-undecaene-20-carbonitrile

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C5=C(C6=CC=CC=C6C=C5)N(C4=C3)C7=NC8=C(C=CC9=CC=CC=C98)C(=N7)C1=CC=C(C=C1)F)C

DOS

IR

Vibrations