Geometry & MOs

Info

ID:

429652

PubChem CID:

135169702

Reduced:

SO3N5C17H21 (1)

Stoich.:

AB3C5D17E21 (1)

Weight, g/mol:

641.221561

ΔHf, kcal/mol:

-58.01

Dipole, Da:

7.97

IP(EA), eV:

 -8.17(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-(4,6-diphenyl-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

CNC1NC2=C(C=C(C=C2S1)OCC3=CC(=NC=C3)NC(=O)NC)OC

DOS

IR

Vibrations