Geometry & MOs

Info

ID:

378751

PubChem CID:

134224848

Reduced:

OSN3H27C48 (1)

Stoich.:

ABC3D27E48 (1)

Weight, g/mol:

727.208219

ΔHf, kcal/mol:

220.44

Dipole, Da:

0.79

IP(EA), eV:

 -8.02(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(12-phenylphenanthro[9,10-g]quinoxalin-11-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=C(C4=CC=CC=C4O3)N=C2C5=CC(=CC=C5)N6C7=CC8=CC=CC=C8C=C7C9=C6C=C1C(=C9)C2=C(S1)C1=CC=CC=C1C=C2

DOS

IR

Vibrations