Geometry & MOs

Info

ID:	373320
PubChem CID:	131313216
Reduced:	NSO3H7C8 (1)
Stoich.:	ABC3D7E8 (1)
Weight, g/mol:	226.02998
ΔH_f, kcal/mol:	-83.34
Dipole, Da:	4.86
IP(EA), eV:	-8.39(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-oxo-2,3-dihydrothieno[3,4-b]pyran-7-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=C(S1)C=CN2)O

DOS

IR

Vibrations