Geometry & MOs

Info

ID:	149549
PubChem CID:	53789222
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	217.131408
ΔH_f, kcal/mol:	-133.71
Dipole, Da:	4.09
IP(EA), eV:	-9.73(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3R)-3-acetyloxy-2-aminobutanoate

Drug info:

PubChemData

Smile

C=CCC(=O)OC1CC(=O)CC(=C1)OCC=C

DOS

IR

Vibrations