Geometry & MOs

Info

ID:	338061
PubChem CID:	127258692
Reduced:	NSO3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-72.54
Dipole, Da:	4.75
IP(EA), eV:	-8.62(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-2-phenoxyethyl) 3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)O/N=C/C1=CC=C(C=C1)SC

DOS

IR

Vibrations