Geometry & MOs

Info

ID:

442197

PubChem CID:

135250483

Reduced:

N6H56C59 (1)

Stoich.:

A6B56C59 (1)

Weight, g/mol:

534.191189

ΔHf, kcal/mol:

245.61

Dipole, Da:

4.62

IP(EA), eV:

 -8.09(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C4=C(C5=CC=CC=C5C(=C4C=C2)C6=CN=C(C=C6)C7=NC(C(N7C8=CC=CC=C8)(C)C)(C)C)C9=CN=C(C=C9)C1=NC(C(N1C1=CC=CC=C1)(C)C)(C)C)C

DOS

IR

Vibrations