Geometry & MOs

Info

ID:	343328
PubChem CID:	127266501
Reduced:	FNSO3H14C16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	279.127072
ΔH_f, kcal/mol:	-112.97
Dipole, Da:	2.0
IP(EA), eV:	-9.14(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-3-(2-methylpent-2-enoylamino)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(CC(=O)O)NC(=O)C=CC2=CSC=C2)F

DOS

IR

Vibrations