Geometry & MOs

Info

ID:	339038
PubChem CID:	127260049
Reduced:	NSO5C16H17 (1)
Stoich.:	ABC5D16E17 (1)
Weight, g/mol:	321.067094
ΔH_f, kcal/mol:	-88.97
Dipole, Da:	8.31
IP(EA), eV:	-9.63(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-nitro-2-propan-2-ylphenyl) benzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations