Geometry & MOs

Info

ID:

319949

PubChem CID:

126657657

Reduced:

S3N4H42C62 (1)

Stoich.:

A3B4C42D62 (1)

Weight, g/mol:

1052.366117

ΔHf, kcal/mol:

274.87

Dipole, Da:

5.1

IP(EA), eV:

 -7.66(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[6-carbazol-9-yl-9-[[9-(6-carbazol-9-yl-9-methylcarbazol-3-yl)carbazol-2-yl]methyl]carbazol-3-yl]phenothiazine

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=CC=C(C=C3)N4C5=CC=CC=C5C6=CC=CC=C64)SC7=C1C=CC(=C7)C8=CC9=C(C=C8)N(C1=CC=CC=C1S9)C1=CC=C(C=C1)C1=CC2=C(C=C1)N(C1=CC=CC=C1S2)C

DOS

IR

Vibrations