Geometry & MOs

Info

ID:	67944
PubChem CID:	46507483
Reduced:	SN2O5H20C23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	436.109293
ΔH_f, kcal/mol:	-121.51
Dipole, Da:	4.38
IP(EA), eV:	-8.93(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=O)N(C3=CC=CC=C3S2(=O)=O)CC4=CC5=C(C=C4)OCO5)C

DOS

IR

Vibrations