Geometry & MOs

Info

ID:	160312
PubChem CID:	57309659
Reduced:	SO5C12H22 (1)
Stoich.:	AB5C12D22 (1)
Weight, g/mol:	332.231122
ΔH_f, kcal/mol:	-247.71
Dipole, Da:	4.31
IP(EA), eV:	-9.61(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]-tert-butylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

Drug info:

PubChemData

Smile

C(CCC=O)CC[C@@H]1[C@@H]([C@H]([C@H]([C@@H](S1)CO)O)O)O

DOS

IR

Vibrations