Geometry & MOs

Info

ID:	14199
PubChem CID:	406630
Reduced:	NCl2S2O3H11C14 (1)
Stoich.:	AB2C2D3E11F14 (1)
Weight, g/mol:	374.955741
ΔH_f, kcal/mol:	-89.2
Dipole, Da:	3.7
IP(EA), eV:	-9.33(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(6-chloro-7-methyl-1,1-dioxo-2,3-dihydro-1lambda6,4,2-benzodithiazin-3-yl)phenol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1Cl)SC(NS2(=O)=O)C3=C(C=CC(=C3)Cl)O

DOS

IR

Vibrations