Geometry & MOs

Info

ID:	81566
PubChem CID:	49854870
Reduced:	F2N2O5H18C23 (1)
Stoich.:	A2B2C5D18E23 (1)
Weight, g/mol:	456.088827
ΔH_f, kcal/mol:	-219.96
Dipole, Da:	10.57
IP(EA), eV:	-9.26(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-2-[(3-chloro-2-fluorophenyl)methyl]-1-hydroxy-8,9-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid

Drug info:

PubChemData

Smile

C1C(N2C=C(C(=O)C(=O)C2=C(N1CC3=C(C=C(C=C3)F)F)O)C(=O)O)CC4=CC=CC=C4

DOS

IR

Vibrations