Geometry & MOs

Info

ID:	335770
PubChem CID:	127254632
Reduced:	SN3O7C24H25 (1)
Stoich.:	AB3C7D24E25 (1)
Weight, g/mol:	315.113153
ΔH_f, kcal/mol:	-227.81
Dipole, Da:	8.88
IP(EA), eV:	-9.02(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-4-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NCC5CCS(=O)(=O)C5)OC

DOS

IR

Vibrations