Geometry & MOs

Info

ID:	51936
PubChem CID:	12014706
Reduced:	S2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	376.080301
ΔH_f, kcal/mol:	-146.85
Dipole, Da:	1.85
IP(EA), eV:	-9.07(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(S)-1,3-dithiolan-2-yl(naphthalen-2-yl)methyl]propanedioate

Drug info:

PubChemData

Smile

COC(=O)C([C@H](C1SCCS1)C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations