Geometry & MOs

Info

ID:	81316
PubChem CID:	49854594
Reduced:	FSN4O5C27H29 (1)
Stoich.:	ABC4D5E27F29 (1)
Weight, g/mol:	535.108103
ΔH_f, kcal/mol:	-192.93
Dipole, Da:	7.58
IP(EA), eV:	-8.95(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)OC(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5)F

DOS

IR

Vibrations