Geometry & MOs

Info

ID:

15273

PubChem CID:

435577

Reduced:

N2S2H15C24 (1)

Stoich.:

A2B2C15D24 (1)

Weight, g/mol:

395.067666

ΔHf, kcal/mol:

132.5

Dipole, Da:

2.37

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.470721

Charge, e:

 1

Chem-info

IUPAC name:

3-phenothiazin-10-ium-10-ylidenephenothiazine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C3C=CC(=[N+]4C5=CC=CC=C5SC6=CC=CC=C64)C=C3S2

DOS

IR

Vibrations