Geometry & MOs

Info

ID:	81226
PubChem CID:	49854483
Reduced:	FSN3O5C25H26 (1)
Stoich.:	ABC3D5E25F26 (1)
Weight, g/mol:	515.139403
ΔH_f, kcal/mol:	-165.03
Dipole, Da:	4.51
IP(EA), eV:	-7.99(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloropropyl)-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=C(C=CC(=C4)F)OC

DOS

IR

Vibrations