Geometry & MOs

Info

ID:	338871
PubChem CID:	127259882
Reduced:	ClNSO5H10C13 (1)
Stoich.:	ABCD5E10F13 (1)
Weight, g/mol:	309.030708
ΔH_f, kcal/mol:	-84.9
Dipole, Da:	1.91
IP(EA), eV:	-9.69(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-5-nitrophenyl) phenylmethanesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)(=O)OC2=C(C=CC=C2Cl)[N+](=O)[O-]

DOS

IR

Vibrations