Geometry & MOs

Info

ID:	81471
PubChem CID:	49854764
Reduced:	Cl2N3O3H21C23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	480.168522
ΔH_f, kcal/mol:	-45.36
Dipole, Da:	8.0
IP(EA), eV:	-8.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CN(N2C=CC(=O)C(=O)C2=C1O)C(C3=CC(=CC=C3)Cl)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations