Geometry & MOs

Info

ID:	337908
PubChem CID:	127258531
Reduced:	O3C9H16 (1)
Stoich.:	A3B9C16 (1)
Weight, g/mol:	268.113316
ΔH_f, kcal/mol:	-149.74
Dipole, Da:	1.97
IP(EA), eV:	-9.03(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-2-hydroxy-3-phenylsulfanylbutyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC(C)/C(=C/C)/O

DOS

IR

Vibrations