Geometry & MOs

Info

ID:

329114

PubChem CID:

126731306

Reduced:

N4H23C34 (2)

Stoich.:

A4B23C34 (2)

Weight, g/mol:

704.170454

ΔHf, kcal/mol:

373.2

Dipole, Da:

1.76

IP(EA), eV:

 -7.65(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(9H-acridin-10-yl)phenyl]-2-(4-phenothiazin-10-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzoxazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3N(C4=CC=CC=C42)C5=CC=C(C=C5)C6=NC7=CC8=C(C=C7N6C9=CC=CC=C9)N=C(N8C1=CC=CC=C1)C1=CC=C(C=C1)N1C2=CC=CC=C2N(C2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations