Geometry & MOs

Info

ID:	20747
PubChem CID:	585495
Reduced:	S2N3O5H7C12 (1)
Stoich.:	A2B3C5D7E12 (1)
Weight, g/mol:	336.982713
ΔH_f, kcal/mol:	-14.17
Dipole, Da:	11.12
IP(EA), eV:	-9.86(-2.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) 2,1,3-benzothiadiazole-4-sulfonate

Drug info:

PubChemData

Smile

C1=CC2=NSN=C2C(=C1)S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations