Geometry & MOs

Info

ID:	51935
PubChem CID:	12014705
Reduced:	O2H8C9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	326.064651
ΔH_f, kcal/mol:	-104.28
Dipole, Da:	2.48
IP(EA), eV:	-9.43(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C(=CC1=CC(=CC=C1)C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations