Geometry & MOs

Info

ID:	337593
PubChem CID:	127258216
Reduced:	SN4O8C40H50 (1)
Stoich.:	AB4C8D40E50 (1)
Weight, g/mol:	168.03017
ΔH_f, kcal/mol:	-232.27
Dipole, Da:	5.34
IP(EA), eV:	-8.82(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3,4-diamino-4-oxobutanoic acid;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@@H](C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@@H](C3CC4CCN3CC4C=C)O.OS(=O)(=O)O

DOS

IR

Vibrations