Geometry & MOs

Info

ID:	81567
PubChem CID:	49854871
Reduced:	ClFN2O5H18C23 (1)
Stoich.:	ABC2D5E18F23 (1)
Weight, g/mol:	523.210721
ΔH_f, kcal/mol:	-190.59
Dipole, Da:	10.5
IP(EA), eV:	-9.49(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4S)-4-benzhydryl-1-hydroxy-2-(2-methoxyethyl)-8,9-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations