Geometry & MOs

Info

ID:	240578
PubChem CID:	93581527
Reduced:	ClNSO6C23H28 (1)
Stoich.:	ABCD6E23F28 (1)
Weight, g/mol:	299.107005
ΔH_f, kcal/mol:	-203.75
Dipole, Da:	6.16
IP(EA), eV:	-9.28(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-7-fluoro-N-(3-methylpyridin-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=O)OC[C@H](CN(CC2=CC=CC=C2Cl)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations