Geometry & MOs

Info

ID:	16377
PubChem CID:	466143
Reduced:	SN2O4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	356.083078
ΔH_f, kcal/mol:	-49.31
Dipole, Da:	2.45
IP(EA), eV:	-9.47(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-2,2-dioxo-1-(prop-2-ynoxymethyl)-2lambda6,1,3-benzothiadiazin-4-one

Drug info:

PubChemData

Smile

C#CCOCN1C2=CC=CC=C2C(=O)N(S1(=O)=O)CC3=CC=CC=C3

DOS

IR

Vibrations