Geometry & MOs

Info

ID:	13689
PubChem CID:	396911
Reduced:	SN2O5C10H16 (1)
Stoich.:	AB2C5D10E16 (1)
Weight, g/mol:	276.077993
ΔH_f, kcal/mol:	-184.2
Dipole, Da:	4.18
IP(EA), eV:	-10.3(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-hydroxyethyl)-6-methoxypyridazin-3-yl]sulfonylpropan-2-ol

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)C1=NN=C(C=C1C(C)O)OC)O

DOS

IR

Vibrations