Geometry & MOs

Info

ID:	185032
PubChem CID:	77243132
Reduced:	ClF3N4O5C20H20 (1)
Stoich.:	AB3C4D5E20F20 (1)
Weight, g/mol:	485.146597
ΔH_f, kcal/mol:	-334.1
Dipole, Da:	7.32
IP(EA), eV:	-9.41(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-2-yl]acetamide;hydrochloride

Drug info:

PubChemData

Smile

C1COC(C(=O)N1C2=CC=C(C=C2)OC(F)(F)F)C(C(=O)NC3=CC=C(C=C3)C(=N)N)O.Cl

DOS

IR

Vibrations