Geometry & MOs

Info

ID:	392098
PubChem CID:	135012857
Reduced:	NSO4C11H11 (1)
Stoich.:	ABC4D11E11 (1)
Weight, g/mol:	351.033207
ΔH_f, kcal/mol:	-130.08
Dipole, Da:	5.96
IP(EA), eV:	-9.68(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R)-1-(2-chlorophenyl)-2-nitro-2-phenylsulfanylethyl] acetate

Drug info:

PubChemData

Smile

C1C=CCN(C1=O)S(=O)(=O)C2=CC=CC=C2O

DOS

IR

Vibrations