Geometry & MOs

Info

ID:	9636
PubChem CID:	91807
Reduced:	NaSN3O6H18C21 (1)
Stoich.:	ABC3D6E18F21 (1)
Weight, g/mol:	463.081401
ΔH_f, kcal/mol:	-216.32
Dipole, Da:	10.95
IP(EA), eV:	-8.87(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-[7-(diethylamino)-2-oxochromen-3-yl]-4-oxo-1H-quinazoline-6-sulfonate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations