Geometry & MOs

Info

ID:	159090
PubChem CID:	57260142
Reduced:	ClSN2F3O3H12C17 (1)
Stoich.:	ABC2D3E3F12G17 (1)
Weight, g/mol:	352.023946
ΔH_f, kcal/mol:	-179.0
Dipole, Da:	7.43
IP(EA), eV:	-8.65(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-amino-5-(2-carboxy-N-sulfinatoanilino)-2-hydroxy-3-nitrobenzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)OS(=O)C2=CC(=C(C=C2)C3=CC=NN3)C(F)(F)F)Cl

DOS

IR

Vibrations