Geometry & MOs

Info

ID:	339036
PubChem CID:	127260047
Reduced:	NSO5H11C13 (1)
Stoich.:	ABC5D11E13 (1)
Weight, g/mol:	307.051444
ΔH_f, kcal/mol:	-82.08
Dipole, Da:	3.17
IP(EA), eV:	-9.65(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethyl-2-nitrophenyl) benzenesulfonate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations