Geometry & MOs

Info

ID:

378633

PubChem CID:

134224727

Reduced:

SN3H21C36 (1)

Stoich.:

AB3C21D36 (1)

Weight, g/mol:

554.156518

ΔHf, kcal/mol:

196.89

Dipole, Da:

3.79

IP(EA), eV:

 -8.12(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)N4C5=C(C=C6C7=CC=CC=C7SC6=C5)C8=C4C9=CC=CC=C9C=C8

DOS

IR

Vibrations