Geometry & MOs

Info

ID:	388806
PubChem CID:	134990287
Reduced:	BrClNO2H15C21 (1)
Stoich.:	ABCD2E15F21 (1)
Weight, g/mol:	304.038148
ΔH_f, kcal/mol:	-10.67
Dipole, Da:	3.85
IP(EA), eV:	-9.7(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-aminophenyl)-2-[(2,2-dichloroacetyl)amino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N(C2=C(C(=CC=C2)Cl)CBr)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations