Geometry & MOs

Info

ID:

442235

PubChem CID:

135250730

Reduced:

O3N5C37H37 (1)

Stoich.:

A3B5C37D37 (1)

Weight, g/mol:

650.206857

ΔHf, kcal/mol:

-0.51

Dipole, Da:

5.0

IP(EA), eV:

 -9.28(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CN=C(O1)C2=CC=CC(=C2)C3=CC(=NC(=N3)C4=CC(=CC=C4)C5=NCC(O5)(C)C)C6=CC(=CC=C6)C7=NCC(O7)(C)C)C

DOS

IR

Vibrations