Geometry & MOs

Info

ID:

297617

PubChem CID:

117623992

Reduced:

FNH28C38 (2)

Stoich.:

ABC28D38 (2)

Weight, g/mol:

1062.472456

ΔHf, kcal/mol:

176.84

Dipole, Da:

3.41

IP(EA), eV:

 -7.83(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,14-bis(2-fluorophenyl)-10,10,22,22-tetramethyl-7-N,19-N-bis(4-methylphenyl)-7-N,19-N-bis(2-phenylphenyl)hexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaene-7,19-diamine

Drug info:

PubChemData

Smile

CC1(C2=CC3=C(C4=C(C=C3C(=C2C5=C1C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7C8=CC=CC=C8)C9=CC(=CC=C9)F)C(C1=C4C=CC(=C1)N(C1=CC=CC=C1)C1=CC=CC=C1C1=CC=CC=C1)(C)C)C1=CC(=CC=C1)F)C

DOS

IR

Vibrations