Geometry & MOs

Info

ID:	206818
PubChem CID:	80305279
Reduced:	FNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	298.132885
ΔH_f, kcal/mol:	-113.34
Dipole, Da:	6.09
IP(EA), eV:	-8.94(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-fluoro-4-methylphenyl)ethylcarbamoylamino]-4-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)C(=O)NCCC2=C(C=C(C=C2)F)C

DOS

IR

Vibrations