Geometry & MOs

Info

ID:

447077

PubChem CID:

135280090

Reduced:

NSH29C46 (1)

Stoich.:

ABC29D46 (1)

Weight, g/mol:

613.226646

ΔHf, kcal/mol:

191.54

Dipole, Da:

2.16

IP(EA), eV:

 -7.65(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-1,16-diazahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17,19,21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC4=C(C=C3)N5C6=CC=CC=C6C7=C8C5=C(S4)C=C(C8=CC=C7)C9=CC=CC(=C9)C1=CC=CC=C1

DOS

IR

Vibrations