Geometry & MOs

Info

ID:	339037
PubChem CID:	127260048
Reduced:	NSO5H13C14 (1)
Stoich.:	ABC5D13E14 (1)
Weight, g/mol:	335.082744
ΔH_f, kcal/mol:	-85.34
Dipole, Da:	3.36
IP(EA), eV:	-9.51(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations