Geometry & MOs

Info

ID:	122260
PubChem CID:	50800348
Reduced:	O2N6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	396.036913
ΔH_f, kcal/mol:	60.61
Dipole, Da:	5.73
IP(EA), eV:	-8.44(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-methyl-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC(=N2)C3=CC=CO3)N=C1C)NC4=CC=C(C=C4)N5CCOCC5

DOS

IR

Vibrations