Geometry & MOs

Info

ID:	369252
PubChem CID:	127331624
Reduced:	ON2S2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	267.104148
ΔH_f, kcal/mol:	-40.44
Dipole, Da:	3.28
IP(EA), eV:	-8.67(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3-dimethylthiomorpholine-4-carbonyl)-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1C(SCCN1C(=O)C2=C(N=C(S2)C)C)C

DOS

IR

Vibrations