Geometry & MOs

Info

ID:

297615

PubChem CID:

117623948

Reduced:

FNH30C42 (2)

Stoich.:

ABC30D42 (2)

Weight, g/mol:

1090.503756

ΔHf, kcal/mol:

208.77

Dipole, Da:

1.05

IP(EA), eV:

 -7.78(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,14-bis(5-fluoro-2-phenylphenyl)-10,10,22,22-tetramethyl-7-N,7-N,19-N,19-N-tetrakis(4-methylphenyl)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=CC8=CC=CC=C8C=C7)C9=C(C=CC(=C9)C1=CC=CC=C1)F)C(C1=C4C=CC(=C1)N(C1=CC=CC=C1)C1=CC2=CC=CC=C2C=C1)(C)C)C1=C(C=CC=C1F)C1=CC=CC=C1)C

DOS

IR

Vibrations