Geometry & MOs

Info

ID:	338956
PubChem CID:	127259967
Reduced:	SCl2O5H10C14 (1)
Stoich.:	AB2C5D10E14 (1)
Weight, g/mol:	459.08103
ΔH_f, kcal/mol:	-166.6
Dipole, Da:	6.93
IP(EA), eV:	-9.39(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-butoxyphenyl)sulfanyl-5-nitrophenyl] benzenesulfonate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1Cl)Cl)OS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations