Geometry & MOs

Info

ID:	231415
PubChem CID:	87573650
Reduced:	SCl2O4N5H19C21 (1)
Stoich.:	AB2C4D5E19F21 (1)
Weight, g/mol:	366.03153
ΔH_f, kcal/mol:	-60.18
Dipole, Da:	7.73
IP(EA), eV:	-9.38(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3E)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[ethoxy(hydroxy)methylidene]pyrido[1,2-a]pyrimidin-5-ium-2,4-dione

Drug info:

PubChemData

Smile

C1COC[C@]1(C(=O)NC2=CC(=C(C=C2)N3CCOCC3=NC#N)Cl)NC(=O)C4=CC=C(S4)Cl

DOS

IR

Vibrations