Geometry & MOs

Info

ID:	299525
PubChem CID:	117687237
Reduced:	SO6C14H24 (1)
Stoich.:	AB6C14D24 (1)
Weight, g/mol:	290.118795
ΔH_f, kcal/mol:	-296.55
Dipole, Da:	6.09
IP(EA), eV:	-8.77(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-acetyl 3-O-ethyl (2R)-2-(tert-butylsulfanylmethyl)-2-methylpropanedioate

Drug info:

PubChemData

Smile

CC(C)OC(=O)OC(=O)[C@](C)(CSC(C)(C)C)C(=O)OC

DOS

IR

Vibrations