Geometry & MOs

Info

ID:	340658
PubChem CID:	127262669
Reduced:	BrNPSH29C33 (1)
Stoich.:	ABCDE29F33 (1)
Weight, g/mol:	502.175833
ΔH_f, kcal/mol:	142.7
Dipole, Da:	39.07
IP(EA), eV:	-5.17(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(10-ethylphenothiazin-3-yl)methyl-triphenylphosphanium

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SC6=CC=CC=C61.[Br-]

DOS

IR

Vibrations