Geometry & MOs

Info

ID:	339033
PubChem CID:	127260044
Reduced:	SO5H20C25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	335.082744
ΔH_f, kcal/mol:	-108.43
Dipole, Da:	3.36
IP(EA), eV:	-8.78(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-tert-butyl-2-nitrophenyl) benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

DOS

IR

Vibrations