Geometry & MOs

Info

ID:	81366
PubChem CID:	49854648
Reduced:	Cl2N3O6C23H27 (1)
Stoich.:	A2B3C6D23E27 (1)
Weight, g/mol:	388.127051
ΔH_f, kcal/mol:	-219.59
Dipole, Da:	6.44
IP(EA), eV:	-8.16(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-2-(2-methoxyethyl)-8,9-dioxo-3-(phenoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)N1[C@@H](C[C@@H](C2=CC(=C(C=C21)OC)OC)N(CC3=CC(=NC(=C3)Cl)Cl)C(=O)OC)C

DOS

IR

Vibrations