Geometry & MOs

Info

ID:	81315
PubChem CID:	49854593
Reduced:	FS2O4N6H19C23 (1)
Stoich.:	AB2C4D6E19F23 (1)
Weight, g/mol:	540.184269
ΔH_f, kcal/mol:	-55.66
Dipole, Da:	7.73
IP(EA), eV:	-8.97(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 4-[3-fluoro-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC(=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)F)C(=O)C5=CSN=N5

DOS

IR

Vibrations