Geometry & MOs

Info

ID:	406452
PubChem CID:	135077664
Reduced:	FNSO11C24H30 (1)
Stoich.:	ABCD11E24F30 (1)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	-529.66
Dipole, Da:	1.38
IP(EA), eV:	-9.04(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[[(2S)-oxan-2-yl]methyl]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1[C@@H]([C@@H](COC(=O)C)O)OC(=O)C)(C(=O)OC)F)SC2=CC=CC=C2)OC(=O)C

DOS

IR

Vibrations