Geometry & MOs

Info

ID:	343327
PubChem CID:	127266500
Reduced:	NSO3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	319.067843
ΔH_f, kcal/mol:	-90.26
Dipole, Da:	3.1
IP(EA), eV:	-9.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-3-(3-thiophen-3-ylprop-2-enoylamino)propanoic acid

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)O)C(=O)C=CC2=CSC=C2

DOS

IR

Vibrations