Geometry & MOs

Info

ID:

316314

PubChem CID:

126630616

Reduced:

SO5N7C32H39 (1)

Stoich.:

AB5C7D32E39 (1)

Weight, g/mol:

2251.838396

ΔHf, kcal/mol:

-102.76

Dipole, Da:

11.78

IP(EA), eV:

 -8.77(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[9-[3-[4,6-bis[3-[1-[9-phenyl-6-(9-phenylcarbazol-1-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-9-phenyl-6-(9-phenylcarbazol-1-yl)carbazole

Drug info:

PubChemData

Smile

C[C@@H]1C2=NC3=C(C=CC(=C3)/C=C/C(C(=O)NC(C(=O)NC(C(=O)N4CCCC(N4)C(=O)O1)CN5C=CC=N5)C(C)C)(C)S)C=C2

DOS

IR

Vibrations