Geometry & MOs

Info

ID:	299526
PubChem CID:	117687243
Reduced:	SO5C13H22 (1)
Stoich.:	AB5C13D22 (1)
Weight, g/mol:	320.12936
ΔH_f, kcal/mol:	-254.71
Dipole, Da:	5.01
IP(EA), eV:	-8.92(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethoxycarbonyl 3-O-methyl (2R)-2-(tert-butylsulfanylmethyl)-2-ethylpropanedioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations