Geometry & MOs

Info

ID:	161918
PubChem CID:	57393061
Reduced:	SCl2F3N5O7C36H46 (1)
Stoich.:	AB2C3D5E7F36G46 (1)
Weight, g/mol:	425.152161
ΔH_f, kcal/mol:	-363.49
Dipole, Da:	29.36
IP(EA), eV:	-8.1(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]quinoline-5-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCOCC4)C(=O)N5CCN(CC5)CCC[N+](C)(C)C)Cl)C.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations