Geometry & MOs

Info

ID:	132277
PubChem CID:	51335598
Reduced:	FN2S2O3C15H17 (1)
Stoich.:	AB2C2D3E15F17 (1)
Weight, g/mol:	266.080376
ΔH_f, kcal/mol:	-106.57
Dipole, Da:	5.01
IP(EA), eV:	-9.37(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-N-pyridin-4-ylpyrido[1,2-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

DOS

IR

Vibrations