Geometry & MOs

Info

ID:	199193
PubChem CID:	79213070
Reduced:	OSN3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	265.077265
ΔH_f, kcal/mol:	19.84
Dipole, Da:	3.6
IP(EA), eV:	-8.72(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1-benzothiophene-3-carbonylamino)butanoic acid

Drug info:

PubChemData

Smile

CN(C1=C(C=NC=C1)N)C(=O)C2CSC3=CC=CC=C23

DOS

IR

Vibrations