Geometry & MOs

Info

ID:	298438
PubChem CID:	117649482
Reduced:	NC22H47 (2)
Stoich.:	AB22C47 (2)
Weight, g/mol:	762.137559
ΔH_f, kcal/mol:	-176.4
Dipole, Da:	0.5
IP(EA), eV:	-8.54(1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-sulfophenyl)-6-(2,4,6-trimethylanilino)-3-(2,4,6-trimethyl-3-sulfophenyl)iminoxanthene-2-sulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC[N+](C)(CCC)CCCCCCCCCCCCCCCCCC

DOS

IR

Vibrations