Geometry & MOs

Info

ID:

428022

PubChem CID:

135165778

Reduced:

NSH19C28 (1)

Stoich.:

ABC19D28 (1)

Weight, g/mol:

613.226646

ΔHf, kcal/mol:

111.83

Dipole, Da:

2.52

IP(EA), eV:

 -8.01(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

Drug info:

PubChemData

Smile

CCN1C2=C(C3=CC=CC=C31)C4=C(C=C2)SC5=C4C6=CC=CC=C6C7=CC=CC=C75

DOS

IR

Vibrations