Geometry & MOs

Info

ID:	138814
PubChem CID:	52429374
Reduced:	FSCl2O3H13C16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	397.020928
ΔH_f, kcal/mol:	-130.23
Dipole, Da:	4.12
IP(EA), eV:	-9.3(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-4-nitrophenyl)sulfanylethyl 2-(4-chlorophenyl)sulfanylacetate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCC(=O)OCCSC2=CC(=CC(=C2)Cl)Cl)F

DOS

IR

Vibrations