Geometry & MOs

Info

ID:	162295
PubChem CID:	57394214
Reduced:	SCl2O3N4C21H24 (1)
Stoich.:	AB2C3D4E21F24 (1)
Weight, g/mol:	407.119129
ΔH_f, kcal/mol:	-120.82
Dipole, Da:	9.63
IP(EA), eV:	-8.9(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-methylbutoxy)-1-oxo-2-phenylpyrido[2,1-b][1,3]benzothiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)N3CCC(=O)NCC3

DOS

IR

Vibrations