Geometry & MOs

Info

ID:	205328
PubChem CID:	80086919
Reduced:	BrClSN2O2C12H16 (1)
Stoich.:	ABCD2E2F12G16 (1)
Weight, g/mol:	291.96142
ΔH_f, kcal/mol:	-73.49
Dipole, Da:	6.93
IP(EA), eV:	-8.83(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(3-bromo-4-chloroanilino)propanoic acid

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)(CN)NC2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations