Geometry & MOs

Info

ID:	213821
PubChem CID:	81065135
Reduced:	ClNO4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	298.098728
ΔH_f, kcal/mol:	-173.85
Dipole, Da:	2.34
IP(EA), eV:	-9.57(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations