Geometry & MOs

Info

ID:

442184

PubChem CID:

135250349

Reduced:

SN3H18C22 (2)

Stoich.:

AB3C18D22 (2)

Weight, g/mol:

712.244288

ΔHf, kcal/mol:

199.93

Dipole, Da:

2.42

IP(EA), eV:

 -8.06(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CSC(=N1)C2=NC(=CC=C2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC(=N8)C9=NC(CS9)(C)C)C1=CC=CC=C13)C

DOS

IR

Vibrations