Geometry & MOs

Info

ID:

313398

PubChem CID:

126614403

Reduced:

ON3H37C57 (1)

Stoich.:

AB3C37D57 (1)

Weight, g/mol:

710.27557

ΔHf, kcal/mol:

219.32

Dipole, Da:

1.87

IP(EA), eV:

 -7.96(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-phenyl-N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC3=C(O2)C=CC4=C3C5=C(C=C4)C=C(C=C5)C6=CC7=C(C=C6)N(C8=C7C=C(C=C8)C9=CC1=C(C=C9)N(C2=CC=CC=C21)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations