Geometry & MOs

Info

ID:	258334
PubChem CID:	103153003
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	311.062757
ΔH_f, kcal/mol:	-180.71
Dipole, Da:	3.28
IP(EA), eV:	-9.72(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations