Geometry & MOs

Info

ID:	409558
PubChem CID:	135082340
Reduced:	O3C22H22 (2)
Stoich.:	A3B22C22 (2)
Weight, g/mol:	314.064651
ΔH_f, kcal/mol:	5.77
Dipole, Da:	4.32
IP(EA), eV:	-8.03(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-[(2S)-2-sulfanylpropyl] 3-O-[(2R)-2-sulfanylpropyl] benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

C1COCCOCCOCCOCCCOC2=C(C3=CC=CC=C3C=C2C4=CC=CC=C4)C5=C(C(=CC6=CC=CC=C65)C7=CC=CC=C7)OC1

DOS

IR

Vibrations