Geometry & MOs

Info

ID:	277596
PubChem CID:	103829761
Reduced:	FNSO4C12H14 (1)
Stoich.:	ABCD4E12F14 (1)
Weight, g/mol:	269.106336
ΔH_f, kcal/mol:	-210.54
Dipole, Da:	3.84
IP(EA), eV:	-9.8(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-fluoro-2-hydroxybenzoyl)-methylamino]butanoate

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1NC(=O)C2=C(C=C(C=C2)F)O

DOS

IR

Vibrations