Geometry & MOs

Info

ID:	227575
PubChem CID:	87562022
Reduced:	PSN3O8C24H28 (1)
Stoich.:	ABC3D8E24F28 (1)
Weight, g/mol:	415.16444
ΔH_f, kcal/mol:	-272.58
Dipole, Da:	11.37
IP(EA), eV:	-9.39(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-2-(propan-2-ylcarbamoylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN([C@@H](CNC(=O)P(=O)(O)O)CNS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations