Geometry & MOs

Info

ID:

378535

PubChem CID:

134224624

Reduced:

SN3H33C43 (1)

Stoich.:

AB3C33D43 (1)

Weight, g/mol:

677.192569

ΔHf, kcal/mol:

171.12

Dipole, Da:

6.37

IP(EA), eV:

 -7.96(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(3-naphthalen-2-ylbenzo[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

C/C=C/C1=CC2=C(C=C1)SC3=CC4=C(C=C32)N(C5=C4C6=CC=CC=C6C=C5)C7=NC8=CC=CC=C8C(=N7)C9=CC=C(C=C9)C(C)(C)C

DOS

IR

Vibrations