Geometry & MOs

Info

ID:	265427
PubChem CID:	103520229
Reduced:	NSO3C10H17 (1)
Stoich.:	ABC3D10E17 (1)
Weight, g/mol:	213.08235
ΔH_f, kcal/mol:	-110.26
Dipole, Da:	2.97
IP(EA), eV:	-8.69(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-3-one

Drug info:

PubChemData

Smile

CCOC(CSC1=NC(=CO1)C)OCC

DOS

IR

Vibrations