Geometry & MOs

Info

ID:	336332
PubChem CID:	127255339
Reduced:	ClFNO5H25C35 (1)
Stoich.:	ABCD5E25F35 (1)
Weight, g/mol:	336.114378
ΔH_f, kcal/mol:	-38.74
Dipole, Da:	6.48
IP(EA), eV:	-8.55(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@H]2[C@@H](N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=C3C=CC(=C6)F)C(=O)C7=CC=C(C=C7)Cl)OC

DOS

IR

Vibrations