Geometry & MOs

Info

ID:

442163

PubChem CID:

135250209

Reduced:

N7H53C58 (1)

Stoich.:

A7B53C58 (1)

Weight, g/mol:

606.216341

ΔHf, kcal/mol:

219.49

Dipole, Da:

4.19

IP(EA), eV:

 -8.3(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[7-[3-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole

Drug info:

PubChemData

Smile

CC1(C(N(C(=N1)C2=CC=CC=C2)C3=CN=CC(=C3)C4=CC5=C(C=C4)C6=C(C=C5)C7=C(N6C8=CC=CC=C8)C=C(C=C7)C9=CC(=CN=C9)N1C(=NC(C1(C)C)(C)C)C1=CC=CC=C1)(C)C)C

DOS

IR

Vibrations