Geometry & MOs

Info

ID:	225357
PubChem CID:	85756509
Reduced:	NO5H15C17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	333.024184
ΔH_f, kcal/mol:	-74.94
Dipole, Da:	5.44
IP(EA), eV:	-9.47(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfonyl-6-phenylsulfanyl-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CC(C(=O)O)OC1=CC=C(C=C1)C=CC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations