Geometry & MOs

Info

ID:	446070
PubChem CID:	135272143
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	336.052841
ΔH_f, kcal/mol:	-81.62
Dipole, Da:	3.97
IP(EA), eV:	-8.43(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-7-[(4-methylphenyl)sulfonylamino]-2,1,3-benzoxadiazol-4-amine oxide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)C)NCCCN3CCCCC3

DOS

IR

Vibrations