Geometry & MOs

Info

ID:

162769

PubChem CID:

57567380

Reduced:

O2N3H19C20 (1)

Stoich.:

A2B3C19D20 (1)

Weight, g/mol:

740.231557

ΔHf, kcal/mol:

-35.52

Dipole, Da:

5.54

IP(EA), eV:

 -7.95(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,24-difluoro-14,28-bis(4-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2,4,6(11),7,9,12,14,16(29),17,19(30),20(25),21,23,26,31-hexadecaene

Drug info:

PubChemData

Smile

CC1(CNC2=C1C=CC(=C2)NC(=O)C3=CNC4=CC=CC=C4C3=O)C

DOS

IR

Vibrations