Geometry & MOs

Info

ID:

322012

PubChem CID:

126668260

Reduced:

ClNSF4O4H32C33 (1)

Stoich.:

ABCD4E4F32G33 (1)

Weight, g/mol:

828.325297

ΔHf, kcal/mol:

-290.73

Dipole, Da:

12.67

IP(EA), eV:

 -9.09(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-phenyl-12-[2-[2-(5-phenyl-10,11-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]cyclohepta-1,6-dien-4-yn-1-yl]indolo[3,2-c]carbazole

Drug info:

PubChemData

Smile

C[C@H](CCN(CC1=C(C(=CC=C1)C(F)(F)F)Cl)CC(C2=CC=CC=C2)C3=CC=CC=C3)OC4=CC(=C(C(=C4)S(=O)O)CO)F

DOS

IR

Vibrations