Geometry & MOs

Info

ID:	312807
PubChem CID:	126608843
Reduced:	BrNSO3C10H12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	384.114378
ΔH_f, kcal/mol:	-92.9
Dipole, Da:	8.52
IP(EA), eV:	-9.55(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-ethoxy-2-methyl-1,1-dioxo-3H-1,2-benzothiazol-6-yl)-2-methylisoquinolin-1-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CN(S2(=O)=O)C)Br

DOS

IR

Vibrations