Geometry & MOs

Info

ID:	326470
PubChem CID:	126687626
Reduced:	NS3O5C11H21 (1)
Stoich.:	AB3C5D11E21 (1)
Weight, g/mol:	311.086115
ΔH_f, kcal/mol:	-239.37
Dipole, Da:	4.54
IP(EA), eV:	-8.61(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2,3-dihydroxy-4-[2-(3-methylbutyldisulfanyl)ethylamino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(CCSSCCNC(=O)[C@@H]([C@H](C(=O)O)O)O)SC

DOS

IR

Vibrations