Geometry & MOs

Info

ID:	81695
PubChem CID:	49855022
Reduced:	SN2O2C13H13 (2)
Stoich.:	AB2C2D13E13 (2)
Weight, g/mol:	503.162725
ΔH_f, kcal/mol:	-58.54
Dipole, Da:	9.06
IP(EA), eV:	-8.79(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyridin-3-yl]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=CC=C2S(=O)(=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5OC

DOS

IR

Vibrations