Geometry & MOs

Info

ID:	444734
PubChem CID:	135263397
Reduced:	NO4C8H9 (1)
Stoich.:	AB4C8D9 (1)
Weight, g/mol:	226.02998
ΔH_f, kcal/mol:	-161.24
Dipole, Da:	7.51
IP(EA), eV:	-10.13(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)acetic acid

Drug info:

PubChemData

Smile

C/C(=C\N1C(=O)CCC1=O)/C(=O)O

DOS

IR

Vibrations