Geometry & MOs

Info

ID:

297616

PubChem CID:

117623966

Reduced:

FNH32C40 (2)

Stoich.:

ABC32D40 (2)

Weight, g/mol:

1034.441156

ΔHf, kcal/mol:

137.04

Dipole, Da:

1.73

IP(EA), eV:

 -7.68(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,14-bis(3-fluorophenyl)-10,10,22,22-tetramethyl-7-N,19-N-diphenyl-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=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC4=C(C=C3)C5=C(C6=CC7=C(C8=C(C7(C)C)C=C(C=C8)N(C9=CC=C(C=C9)C)C1=CC=C(C=C1)C)C(=C6C=C5C4(C)C)C1=C(C=CC(=C1)F)C1=CC=CC=C1)C1=C(C=CC(=C1)F)C1=CC=CC=C1

DOS

IR

Vibrations