Geometry & MOs

Info

ID:	20825
PubChem CID:	585973
Reduced:	ClSN3O3H22C25 (1)
Stoich.:	ABC3D3E22F25 (1)
Weight, g/mol:	479.10704
ΔH_f, kcal/mol:	7.72
Dipole, Da:	15.88
IP(EA), eV:	-7.71(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[9-(2-carboxy-4-isothiocyanatophenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium;chloride

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)N=C=S)C(=O)O.[Cl-]

DOS

IR

Vibrations