Geometry & MOs

Info

ID:	200871
PubChem CID:	79457238
Reduced:	NCl2O5C12H13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	279.056529
ΔH_f, kcal/mol:	-200.22
Dipole, Da:	6.02
IP(EA), eV:	-9.43(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-benzothiophene-3-carbonylamino)ethoxy]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)C(=O)NCCOCC(=O)O)Cl

DOS

IR

Vibrations