Geometry & MOs

Info

ID:

314339

PubChem CID:

126621580

Reduced:

NH19C24 (1)

Stoich.:

AB19C24 (1)

Weight, g/mol:

794.27557

ΔHf, kcal/mol:

75.28

Dipole, Da:

0.51

IP(EA), eV:

 -8.1(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,4-diphenyl-N-[4-[3-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]phenyl]aniline

Drug info:

PubChemData

Smile

CC1=C(C2=CC3=C(C=C2C=C1)C4=CC=CC=C4N3)C5=CC=CC=C5C

DOS

IR

Vibrations