Geometry & MOs

Info

ID:	448434
PubChem CID:	135290869
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	544.133794
ΔH_f, kcal/mol:	-4.22
Dipole, Da:	3.91
IP(EA), eV:	-8.9(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(diethylamino)-6-[ethyl(methyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate

Drug info:

PubChemData

Smile

CCCCSC1=CC2=NC(=CC(=O)N2N1)C3=CC=C(C=C3)OC

DOS

IR

Vibrations