Geometry & MOs

Info

ID:	338342
PubChem CID:	127259034
Reduced:	SO3C11H14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	289.040879
ΔH_f, kcal/mol:	-109.9
Dipole, Da:	1.68
IP(EA), eV:	-8.67(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitro-2-phenylsulfanylphenyl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC(COC)SC1=CC=CC=C1

DOS

IR

Vibrations