Geometry & MOs

Info

ID:

429563

PubChem CID:

135169612

Reduced:

S2O5C7H10 (1)

Stoich.:

A2B5C7D10 (1)

Weight, g/mol:

731.232125

ΔHf, kcal/mol:

-189.04

Dipole, Da:

9.52

IP(EA), eV:

 -10.13(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

C1CC(S(=O)(=O)C1)C2C=COS2(=O)=O

DOS

IR

Vibrations