Geometry & MOs

Info

ID:	54034
PubChem CID:	14719653
Reduced:	NNaS2O4H20C22 (1)
Stoich.:	ABC2D4E20F22 (1)
Weight, g/mol:	399.067111
ΔH_f, kcal/mol:	-140.79
Dipole, Da:	10.73
IP(EA), eV:	-9.39(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,6-dimethoxypyrimidin-2-yl)-3-[3-(methylsulfanylmethyl)pyridin-2-yl]sulfonylurea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(CS)C(=O)NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations