Geometry & MOs

Info

ID:

442230

PubChem CID:

135250691

Reduced:

N3C20H21 (3)

Stoich.:

A3B20C21 (3)

Weight, g/mol:

648.216359

ΔHf, kcal/mol:

210.73

Dipole, Da:

1.97

IP(EA), eV:

 -8.34(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(N(C(=N1)C2=NC=C(C=C2)C3=CC(=CC(=C3)C4=CN=C(C=C4)C5=NC(C(N5C6=CC=CC=C6)(C)C)(C)C)C7=CN=C(C=C7)C8=NC(C(N8C9=CC=CC=C9)(C)C)(C)C)C1=CC=CC=C1)(C)C)C

DOS

IR

Vibrations