Geometry & MOs

Info

ID:

329117

PubChem CID:

126731316

Reduced:

OS2N5H31C50 (1)

Stoich.:

AB2C5D31E50 (1)

Weight, g/mol:

763.240582

ΔHf, kcal/mol:

252.65

Dipole, Da:

2.8

IP(EA), eV:

 -7.58(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[4-[6-[4-(9H-acridin-10-yl)phenyl]-5-phenylimidazo[4,5-f][1,3]benzothiazol-2-yl]phenyl]phenoxazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(N2C4=CC=CC=C4)C(=C5C(=C3N6C7=CC=CC=C7SC8=CC=CC=C86)OC(=N5)C9=CC=CC=C9)N1C2=CC=CC=C2SC2=CC=CC=C21

DOS

IR

Vibrations