Geometry & MOs

Info

ID:	183188
PubChem CID:	76989758
Reduced:	SN2O6C10H18 (1)
Stoich.:	AB2C6D10E18 (1)
Weight, g/mol:	293.089937
ΔH_f, kcal/mol:	-265.88
Dipole, Da:	7.84
IP(EA), eV:	-10.23(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-4-methoxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

COC(=O)CC(C(=O)O)NS(=O)(=O)N1CCCCC1

DOS

IR

Vibrations