Geometry & MOs

Info

ID:

445207

PubChem CID:

135264921

Reduced:

SN3O6C33H35 (1)

Stoich.:

AB3C6D33E35 (1)

Weight, g/mol:

905.239537

ΔHf, kcal/mol:

-138.33

Dipole, Da:

5.97

IP(EA), eV:

 -8.69(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(4,6-diphenylpyrimidin-2-yl)-2-[3-(4-phenyl-6-thieno[3,2-c]carbazol-6-yl-1,3,5-triazin-2-yl)phenyl]thieno[3,2-c]carbazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)NC(=O)N[C@@H](CC/C(=C/C=C(\C=C)/C2=CC=CC=C2)/C)C(=O)N(C)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations