Geometry & MOs

Info

ID:	433685
PubChem CID:	135173825
Reduced:	NSO2C10H21 (1)
Stoich.:	ABC2D10E21 (1)
Weight, g/mol:	168.060886
ΔH_f, kcal/mol:	-74.89
Dipole, Da:	1.49
IP(EA), eV:	-8.6(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-but-2-en-2-yl]-2H-thiopyran-5-one

Drug info:

PubChemData

Smile

CCCCSN(C(=C)OC(C)(C)C)O

DOS

IR

Vibrations