Geometry & MOs

Info

ID:	339039
PubChem CID:	127260050
Reduced:	NSO5C15H15 (1)
Stoich.:	ABC5D15E15 (1)
Weight, g/mol:	335.082744
ΔH_f, kcal/mol:	-87.29
Dipole, Da:	8.38
IP(EA), eV:	-9.66(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC=C1OS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations