Geometry & MOs

Info

ID:

429555

PubChem CID:

135169604

Reduced:

SO3N6C23H26 (1)

Stoich.:

AB3C6D23E26 (1)

Weight, g/mol:

731.232125

ΔHf, kcal/mol:

-33.17

Dipole, Da:

6.17

IP(EA), eV:

 -9.32(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,5(9),6,12,14,16,18-nonaene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations