Geometry & MOs

Info

ID:	69288
PubChem CID:	46530586
Reduced:	ON2H8C9 (3)
Stoich.:	AB2C8D9 (3)
Weight, g/mol:	472.139211
ΔH_f, kcal/mol:	23.21
Dipole, Da:	5.93
IP(EA), eV:	-8.47(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)NC(=O)NCC5=CC=CO5

DOS

IR

Vibrations