Geometry & MOs

Info

ID:	161295
PubChem CID:	57391281
Reduced:	BrSO3N4C22H23 (1)
Stoich.:	ABC3D4E22F23 (1)
Weight, g/mol:	503.06267
ΔH_f, kcal/mol:	-40.06
Dipole, Da:	4.81
IP(EA), eV:	-8.93(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-3-oxopropyl]quinoline-5-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CCNS(=O)(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations