Geometry & MOs

Info

ID:	307418
PubChem CID:	125299877
Reduced:	SC7O8H14 (1)
Stoich.:	AB7C8D14 (1)
Weight, g/mol:	331.128054
ΔH_f, kcal/mol:	-361.9
Dipole, Da:	2.92
IP(EA), eV:	-10.37(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-5H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CO[C@@H]1[C@@H](O[C@@H]([C@@H]([C@H]1O)O)O)CS(=O)(=O)O

DOS

IR

Vibrations