Geometry & MOs

Info

ID:	17095
PubChem CID:	484086
Reduced:	SN3O5H17C21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	423.088892
ΔH_f, kcal/mol:	-45.14
Dipole, Da:	5.26
IP(EA), eV:	-9.62(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-[(4-nitrophenyl)methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N(S2(=O)=O)CC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations