Geometry & MOs

Info

ID:

435977

PubChem CID:

135193129

Reduced:

SN6H28C46 (1)

Stoich.:

AB6C28D46 (1)

Weight, g/mol:

665.257946

ΔHf, kcal/mol:

339.39

Dipole, Da:

4.05

IP(EA), eV:

 -8.81(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC4=C(C=C3)SC5=C4C=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C8N9C6=NC1=CC=CC=C19)C1=CC=CC=C1

DOS

IR

Vibrations