Geometry & MOs

Info

ID:	339035
PubChem CID:	127260046
Reduced:	NSO5C15H15 (1)
Stoich.:	ABC5D15E15 (1)
Weight, g/mol:	293.035794
ΔH_f, kcal/mol:	-90.29
Dipole, Da:	1.59
IP(EA), eV:	-9.64(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-2-nitrophenyl) benzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations