Geometry & MOs

Info

ID:	388370
PubChem CID:	134988944
Reduced:	NO3C6H13 (1)
Stoich.:	AB3C6D13 (1)
Weight, g/mol:	260.090472
ΔH_f, kcal/mol:	-128.88
Dipole, Da:	0.85
IP(EA), eV:	-9.75(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,3,4-trimethyl-6-methylsulfanyl-2,5-dihydrothiopyran-6-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OCC(C)(C)NO

DOS

IR

Vibrations