Geometry & MOs

Info

ID:	48487
PubChem CID:	10587360
Reduced:	SN3O4C9H13 (1)
Stoich.:	AB3C4D9E13 (1)
Weight, g/mol:	261.080121
ΔH_f, kcal/mol:	-110.74
Dipole, Da:	5.01
IP(EA), eV:	-9.64(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-7-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1C=C(N=C1)/C=C/C(=O)OC

DOS

IR

Vibrations