Geometry & MOs

Info

ID:	213195
PubChem CID:	81063145
Reduced:	ClFNO3C12H13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	298.098728
ΔH_f, kcal/mol:	-175.07
Dipole, Da:	5.72
IP(EA), eV:	-9.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C(C=CC(=C1)Cl)F

DOS

IR

Vibrations