Geometry & MOs

Info

ID:

378536

PubChem CID:

134224625

Reduced:

SN3H27C48 (1)

Stoich.:

AB3C27D48 (1)

Weight, g/mol:

679.208219

ΔHf, kcal/mol:

242.44

Dipole, Da:

1.87

IP(EA), eV:

 -8.06(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(3-naphthalen-2-yl-1,2-dihydrobenzo[h]quinoxalin-2-yl)-28-thia-14-azaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=NC4=C(C5=CC=CC=C5C=C4)N=C3N6C7=C(C8=CC=CC=C8C=C7)C9=C6C=C1C2=C(C3=CC=CC=C3C=C2)SC1=C9

DOS

IR

Vibrations