Geometry & MOs

Info

ID:	209583
PubChem CID:	80690610
Reduced:	BrN2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	314.093643
ΔH_f, kcal/mol:	11.71
Dipole, Da:	3.88
IP(EA), eV:	-9.05(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-oxo-2-(2-phenylpropylsulfonylamino)butanoic acid

Drug info:

PubChemData

Smile

CCC(CC)N(CCBr)CC1=CN=CC=C1

DOS

IR

Vibrations