Geometry & MOs

Info

ID:

319950

PubChem CID:

126657658

Reduced:

SN6H48C74 (1)

Stoich.:

AB6C48D74 (1)

Weight, g/mol:

1179.34631

ΔHf, kcal/mol:

344.98

Dipole, Da:

3.01

IP(EA), eV:

 -7.68(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]methyl]-7-[10-methyl-7-(10-phenylphenothiazin-3-yl)phenothiazin-3-yl]-10-phenylphenothiazine

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)N3C4=CC=CC=C4C5=CC=CC=C53)C6=C1C=CC(=C6)N7C8=CC=CC=C8C9=C7C=C(C=C9)CN1C2=C(C=C(C=C2)N2C3=CC=CC=C3C3=CC=CC=C32)C2=C1C=CC(=C2)N1C2=CC=CC=C2SC2=CC=CC=C21

DOS

IR

Vibrations