Geometry & MOs

Info

ID:	165436
PubChem CID:	74548594
Reduced:	FSCl2O2N4H21C23 (1)
Stoich.:	ABC2D2E4F21G23 (1)
Weight, g/mol:	334.052934
ΔH_f, kcal/mol:	-87.51
Dipole, Da:	1.7
IP(EA), eV:	-9.13(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-chloro-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Drug info:

PubChemData

Smile

C1CC2NC(CC(=O)N2CC1Cl)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)F)Cl

DOS

IR

Vibrations