Geometry & MOs

Info

ID:	189770
PubChem CID:	77902595
Reduced:	SO3N5C16H27 (1)
Stoich.:	AB3C5D16E27 (1)
Weight, g/mol:	359.16452
ΔH_f, kcal/mol:	-104.07
Dipole, Da:	3.43
IP(EA), eV:	-8.89(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-4aH-quinolin-2-one

Drug info:

PubChemData

Smile

CCCC1CN(CC1NS(=O)(=O)C)C(=O)C2=NNC3=C2CN(CC3)C

DOS

IR

Vibrations