Geometry & MOs

Info

ID:	418086
PubChem CID:	135103496
Reduced:	ClNO4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	397.11077
ΔH_f, kcal/mol:	-116.05
Dipole, Da:	6.22
IP(EA), eV:	-9.13(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C(=O)C4=CC=C(O4)Cl)OCC2

DOS

IR

Vibrations