Geometry & MOs

Info

ID:	199190
PubChem CID:	79212268
Reduced:	SN2O3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	281.072179
ΔH_f, kcal/mol:	-63.92
Dipole, Da:	3.45
IP(EA), eV:	-8.76(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1-benzothiophene-3-carbonylamino)-2-hydroxy-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2S1)C3=NN=C(O3)CCCC(=O)O

DOS

IR

Vibrations