Geometry & MOs

Info

ID:	231713
PubChem CID:	87574498
Reduced:	OPSC14H14 (2)
Stoich.:	ABCD14E14 (2)
Weight, g/mol:	668.06841
ΔH_f, kcal/mol:	-76.28
Dipole, Da:	2.87
IP(EA), eV:	-8.16(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(10-bromodecyl)-4,10-dihydrophenothiazin-3-ylidene]amino]benzene-1,4-disulfonic acid

Drug info:

PubChemData

Smile

CC(P(=S)(C1=CC=CC=C1)C2=CC=CC=C2OC)P(=S)(C3=CC=CC=C3)C4=CC=CC=C4OC

DOS

IR

Vibrations