Geometry & MOs

Info

ID:	338966
PubChem CID:	127259977
Reduced:	NSO6H11C14 (1)
Stoich.:	ABC6D11E14 (1)
Weight, g/mol:	293.035794
ΔH_f, kcal/mol:	-104.29
Dipole, Da:	7.66
IP(EA), eV:	-10.31(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-nitrophenyl)methyl benzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations