Geometry & MOs

Info

ID:	226877
PubChem CID:	87558747
Reduced:	SN4O7C10H20 (1)
Stoich.:	AB4C7D10E20 (1)
Weight, g/mol:	219.085521
ΔH_f, kcal/mol:	-311.29
Dipole, Da:	6.96
IP(EA), eV:	-9.26(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-amino-4-[2-(carboxymethyl)hydrazinyl]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C(CC(=O)O)[C@@H](C(=O)N)NNCC(=O)O.C([C@@H](C(=O)O)N)S

DOS

IR

Vibrations