Geometry & MOs

Info

ID:	213716
PubChem CID:	81064763
Reduced:	SN2O4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	283.121986
ΔH_f, kcal/mol:	-148.39
Dipole, Da:	5.9
IP(EA), eV:	-9.13(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-fluorophenoxy)propanoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CSCC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations