Geometry & MOs

Info

ID:	186588
PubChem CID:	77449408
Reduced:	FO4N5C40H42 (1)
Stoich.:	AB4C5D40E42 (1)
Weight, g/mol:	318.085186
ΔH_f, kcal/mol:	-87.78
Dipole, Da:	5.83
IP(EA), eV:	-8.53(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-hydroxy-3-oxo-4-(2-oxo-4aH-quinolin-5-yl)morpholin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=C(N2C(=C(C(=N2)C3=CC=CC(=C3)C4=CC5=C(C=C4)N(N=C5)C)C)N=C1C)C6=CC(=C7C(=C6C)CCCO7)F)OC(C)(C)C

DOS

IR

Vibrations