Geometry & MOs

Info

ID:

378582

PubChem CID:

134224673

Reduced:

SN3H21C36 (1)

Stoich.:

AB3C21D36 (1)

Weight, g/mol:

759.18029

ΔHf, kcal/mol:

196.62

Dipole, Da:

2.52

IP(EA), eV:

 -8.15(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[3-(6-phenyldibenzothiophen-4-yl)quinoxalin-2-yl]-18-thia-14-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2N4C5=C(C6=CC=CC=C6C=C5)C7=C4C=C8C9=CC=CC=C9SC8=C7

DOS

IR

Vibrations