Geometry & MOs

Info

ID:	85449
PubChem CID:	49875308
Reduced:	SO4C10H10 (1)
Stoich.:	AB4C10D10 (1)
Weight, g/mol:	283.051444
ΔH_f, kcal/mol:	-112.4
Dipole, Da:	3.89
IP(EA), eV:	-9.3(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-4-oxo-4-(2-oxo-1H-thieno[2,3-b][1,4]oxazin-6-yl)butanoate

Drug info:

PubChemData

Smile

COC1=CC=C(S1)C(=O)/C=C/C(=O)OC

DOS

IR

Vibrations