Geometry & MOs

Info

ID:	81317
PubChem CID:	49854595
Reduced:	ClSO4N5H22C26 (1)
Stoich.:	ABC4D5E22F26 (1)
Weight, g/mol:	549.148218
ΔH_f, kcal/mol:	-42.77
Dipole, Da:	10.74
IP(EA), eV:	-9.16(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations