Geometry & MOs

Info

ID:	129837
PubChem CID:	51074014
Reduced:	SO3N5C13H15 (1)
Stoich.:	AB3C5D13E15 (1)
Weight, g/mol:	331.062677
ΔH_f, kcal/mol:	48.3
Dipole, Da:	8.02
IP(EA), eV:	-9.5(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylsulfonylphenoxy)methyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

C1CC(OC1)CN2C(=NN=N2)SCC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations