Geometry & MOs

Info

ID:	388239
PubChem CID:	134988592
Reduced:	PSO4C9H21 (1)
Stoich.:	ABC4D9E21 (1)
Weight, g/mol:	292.03102
ΔH_f, kcal/mol:	-257.7
Dipole, Da:	4.31
IP(EA), eV:	-9.59(1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2S)-2-bromo-3-methylbutanoate

Drug info:

PubChemData

Smile

CCCOP(=O)(C=S(=O)(C)C)OCCC

DOS

IR

Vibrations