Geometry & MOs

Info

ID:	373440
PubChem CID:	131315357
Reduced:	NSO3C10H17 (1)
Stoich.:	ABC3D10E17 (1)
Weight, g/mol:	285.98407
ΔH_f, kcal/mol:	-133.17
Dipole, Da:	4.43
IP(EA), eV:	-8.55(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-bromo-4-oxo-6,7-dihydro-5H-1-benzofuran-6-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1COCC2(N1)CCSCC2

DOS

IR

Vibrations