Geometry & MOs

Info

ID:	67982
PubChem CID:	46507543
Reduced:	ClN3O4H24C26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	438.088557
ΔH_f, kcal/mol:	-88.54
Dipole, Da:	1.93
IP(EA), eV:	-8.24(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2NC(=O)C3=CC=C(C=C3)Cl)C(=O)NCC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations