Geometry & MOs

Info

ID:	199194
PubChem CID:	79213071
Reduced:	NSO3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	251.061614
ΔH_f, kcal/mol:	-117.52
Dipole, Da:	1.97
IP(EA), eV:	-8.7(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1-benzothiophene-3-carbonylamino)propanoic acid

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2S1)C(=O)NCCCC(=O)O

DOS

IR

Vibrations