Geometry & MOs

Info

ID:	375450
PubChem CID:	131529768
Reduced:	BrN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	329.093309
ΔH_f, kcal/mol:	-86.77
Dipole, Da:	3.25
IP(EA), eV:	-8.72(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2R)-1-carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N)Br)[C@](C)(CC(=O)O)N

DOS

IR

Vibrations