Geometry & MOs

Info

ID:	81318
PubChem CID:	49854596
Reduced:	FSN5O5H24C27 (1)
Stoich.:	ABC5D5E24F27 (1)
Weight, g/mol:	532.152889
ΔH_f, kcal/mol:	-125.49
Dipole, Da:	10.04
IP(EA), eV:	-8.73(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-methoxy-4-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)N4CCN(CC4)C(=O)C5=NC=C(C=C5)F

DOS

IR

Vibrations