Geometry & MOs

Info

ID:

447066

PubChem CID:

135279979

Reduced:

NSH12C22 (2)

Stoich.:

ABC12D22 (2)

Weight, g/mol:

603.06563

ΔHf, kcal/mol:

198.61

Dipole, Da:

1.45

IP(EA), eV:

 -7.72(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(8-bromonaphthalen-1-yl)-14-dibenzothiophen-2-yl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N3C4=CC=C(C5=CC=CC(=C54)C6=C3C(=CC=C6)S2)C7=CC=C8C9=C(C=CC=C79)C1=C2N8C3=CC=CC=C3SC2=CC=C1

DOS

IR

Vibrations