Geometry & MOs

Info

ID:	166882
PubChem CID:	74748870
Reduced:	FOSN4C21H24 (1)
Stoich.:	ABCD4E21F24 (1)
Weight, g/mol:	308.11658
ΔH_f, kcal/mol:	28.64
Dipole, Da:	5.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.854535
Charge, e:	1

Chem-info

IUPAC name:

N-(7-chloro-2-methyl-4-oxo-5H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC(C1=NN=C(N1C2=CC=C(C=C2)F)SC(C)C(=O)C3=CC=CC=C3)[NH+](C)C

DOS

IR

Vibrations