Geometry & MOs

Info

ID:	213388
PubChem CID:	81063591
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	284.083078
ΔH_f, kcal/mol:	-135.05
Dipole, Da:	3.49
IP(EA), eV:	-9.22(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NCC(C)CC(=O)O)C

DOS

IR

Vibrations