Geometry & MOs

Info

ID:	189285
PubChem CID:	77838268
Reduced:	ClN4O5C17H25 (1)
Stoich.:	AB4C5D17E25 (1)
Weight, g/mol:	332.140593
ΔH_f, kcal/mol:	-243.22
Dipole, Da:	4.83
IP(EA), eV:	-9.43(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-methyl-3-oxo-2-[(2,2,4,4-tetramethylthietan-3-yl)amino]hexanedioic acid

Drug info:

PubChemData

Smile

C1CN(CCN1)C(=O)C(CC(C(=O)N)O)(NC(=O)CC2=CC=CC=C2)O.Cl

DOS

IR

Vibrations