Geometry & MOs

Info

ID:	80911
PubChem CID:	49853872
Reduced:	FSN4O4H23C27 (1)
Stoich.:	ABC4D4E23F27 (1)
Weight, g/mol:	518.142405
ΔH_f, kcal/mol:	-99.47
Dipole, Da:	9.19
IP(EA), eV:	-8.87(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations