Geometry & MOs

Info

ID:	387555
PubChem CID:	134985841
Reduced:	SN3O3C11H13 (1)
Stoich.:	AB3C3D11E13 (1)
Weight, g/mol:	217.097703
ΔH_f, kcal/mol:	-41.3
Dipole, Da:	3.63
IP(EA), eV:	-9.87(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2E,5E)-2,4-dihydroxy-6-phenylhexa-2,5-diene-3-diazonium

Drug info:

PubChemData

Smile

CCO/C(=N\S(=O)(=O)C1=CC=C(C=C1)C)/C=[N+]=[N-]

DOS

IR

Vibrations