Geometry & MOs

Info

ID:

429432

PubChem CID:

135169481

Reduced:

SO3N4C14H18 (2)

Stoich.:

AB3C4D14E18 (2)

Weight, g/mol:

807.263425

ΔHf, kcal/mol:

-180.69

Dipole, Da:

4.05

IP(EA), eV:

 -9.05(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]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

CS(=O)(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations