Geometry & MOs

Info

ID:	263191
PubChem CID:	103344790
Reduced:	OS2C9H12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	244.095558
ΔH_f, kcal/mol:	7.19
Dipole, Da:	2.51
IP(EA), eV:	-8.78(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclobutyl-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C(=O)C#C)C

DOS

IR

Vibrations