Geometry & MOs

Info

ID:	284662
PubChem CID:	104057592
Reduced:	ClSN2O3H11C14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-44.98
Dipole, Da:	2.99
IP(EA), eV:	-9.9(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)C#N)Cl)CO

DOS

IR

Vibrations