Geometry & MOs

Info

ID:	299538
PubChem CID:	117687399
Reduced:	SO4C17H24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	276.103145
ΔH_f, kcal/mol:	-181.75
Dipole, Da:	5.65
IP(EA), eV:	-8.47(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-acetyl 3-O-methyl 2-(tert-butylsulfanylmethyl)-2-methylpropanedioate

Drug info:

PubChemData

Smile

CC[C@@](CSC(C)(C)C)(C(=O)O)C(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations