Geometry & MOs

Info

ID:	78101
PubChem CID:	49681667
Reduced:	BrS2N3O3C19H20 (1)
Stoich.:	AB2C3D3E19F20 (1)
Weight, g/mol:	461.107913
ΔH_f, kcal/mol:	-52.9
Dipole, Da:	7.37
IP(EA), eV:	-9.1(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC=C3Br)C

DOS

IR

Vibrations