Geometry & MOs

Info

ID:	273705
PubChem CID:	103771847
Reduced:	NSO2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	198.082684
ΔH_f, kcal/mol:	-77.68
Dipole, Da:	3.79
IP(EA), eV:	-8.61(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1H-imidazol-2-ylsulfanyl)hexan-2-one

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)SCCCCC(=O)C)C

DOS

IR

Vibrations