Geometry & MOs

Info

ID:

442176

PubChem CID:

135250280

Reduced:

SN2H27C31 (2)

Stoich.:

AB2C27D31 (2)

Weight, g/mol:

862.31639

ΔHf, kcal/mol:

191.77

Dipole, Da:

0.85

IP(EA), eV:

 -7.9(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[6-[6-[3-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole

Drug info:

PubChemData

Smile

CC1(C(SC(=N1)C2=CC=C(C=C2)C3=CC4=C(C=C3)N(C5=C4C=C(C=C5)C6=CC7=C(C=C6)N(C8=C7C=C(C=C8)C9=CC=C(C=C9)C1=NC(C(S1)(C)C)(C)C)C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C

DOS

IR

Vibrations