Geometry & MOs

Info

ID:	336107
PubChem CID:	127255114
Reduced:	ClO3N4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	385.034411
ΔH_f, kcal/mol:	-115.51
Dipole, Da:	3.92
IP(EA), eV:	-8.56(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-4-oxo-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)C(=O)CCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations