Geometry & MOs

Info

ID:

442203

PubChem CID:

135250523

Reduced:

N5C49H49 (1)

Stoich.:

A5B49C49 (1)

Weight, g/mol:

537.176936

ΔHf, kcal/mol:

155.84

Dipole, Da:

2.28

IP(EA), eV:

 -8.44(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[4-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)pyridin-3-yl]-6-phenyl-1,3,5-triazin-2-yl]pyridin-2-yl]-4,4-dimethyl-5H-1,3-thiazole

Drug info:

PubChemData

Smile

CC1(C(N(C(=N1)C2=CC=C(C=C2)C3=CC(=CC(=N3)C4=CC=C(C=C4)C5=NC(C(N5C6=CC=CC=C6)(C)C)(C)C)C7=CC=CC=C7)C8=CC=CC=C8)(C)C)C

DOS

IR

Vibrations