Geometry & MOs

Info

ID:	338979
PubChem CID:	127259990
Reduced:	PS2O6C18H23 (1)
Stoich.:	AB2C6D18E23 (1)
Weight, g/mol:	380.094312
ΔH_f, kcal/mol:	-284.39
Dipole, Da:	5.95
IP(EA), eV:	-8.99(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-N-anilino-C-phenylcarbonimidoyl]diazenyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CCCCSP(=O)(OCC)OC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations