Geometry & MOs

Info

ID:	16952
PubChem CID:	480970
Reduced:	SN2O5H22C23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	438.124943
ΔH_f, kcal/mol:	-124.41
Dipole, Da:	3.02
IP(EA), eV:	-9.3(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dioxo-1,3-bis(phenylmethoxymethyl)-2lambda6,1,3-benzothiadiazin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCN2C3=CC=CC=C3C(=O)N(S2(=O)=O)COCC4=CC=CC=C4

DOS

IR

Vibrations