Geometry & MOs

Info

ID:	231342
PubChem CID:	87573507
Reduced:	ClNSF3O3C14H17 (1)
Stoich.:	ABCD3E3F14G17 (1)
Weight, g/mol:	404.997977
ΔH_f, kcal/mol:	-267.33
Dipole, Da:	3.77
IP(EA), eV:	-8.79(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3E)-3-(2-chloro-1H-pyridin-4-ylidene)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrido[1,2-a]pyrimidin-5-ium-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCC2=CC(=C(C=C2)OS(=O)(=O)C(F)(F)F)Cl

DOS

IR

Vibrations