Geometry & MOs

Info

ID:	399215
PubChem CID:	135038781
Reduced:	O2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	176.104859
ΔH_f, kcal/mol:	-151.43
Dipole, Da:	4.66
IP(EA), eV:	-9.96(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (2S)-2,4-dihydroxy-2-methylbutanoate

Drug info:

PubChemData

Smile

C1CO[C@@H]([C@@H]1OC(=O)C2=CC=CC=C2)CO

DOS

IR

Vibrations