Geometry & MOs

Info

ID:	228111
PubChem CID:	87563468
Reduced:	SN2O3F6H16C21 (1)
Stoich.:	AB2C3D6E16F21 (1)
Weight, g/mol:	413.185175
ΔH_f, kcal/mol:	-333.79
Dipole, Da:	7.32
IP(EA), eV:	-9.56(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-2-(4-methylpiperazin-1-yl)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1C[C@H](C2=CC(=C(C(=C2)OCC(F)(F)F)C(F)(F)F)C3=CC4=NSN=C4C=C3)C(=O)O

DOS

IR

Vibrations