Geometry & MOs

Info

ID:	1690
PubChem CID:	4881
Reduced:	PS2N3O12C14H14 (1)
Stoich.:	AB2C3D12E14F14 (1)
Weight, g/mol:	510.975652
ΔH_f, kcal/mol:	-464.41
Dipole, Da:	10.86
IP(EA), eV:	-9.87(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)N=NC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)COP(=O)(O)O)C=O)O

DOS

IR

Vibrations