Geometry & MOs

Info

ID:	21569
PubChem CID:	588940
Reduced:	NSO4C7H7 (1)
Stoich.:	ABC4D7E7 (1)
Weight, g/mol:	201.009579
ΔH_f, kcal/mol:	-124.77
Dipole, Da:	7.05
IP(EA), eV:	-9.36(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-6-oxo-2-sulfanylidene-1,3-oxazine-4-carboxylate

Drug info:

PubChemData

Smile

CN1C(=CC(=O)OC1=S)C(=O)OC

DOS

IR

Vibrations