Geometry & MOs

Info

ID:	228036
PubChem CID:	87563259
Reduced:	SO5C6H8 (1)
Stoich.:	AB5C6D8 (1)
Weight, g/mol:	448.153541
ΔH_f, kcal/mol:	-175.14
Dipole, Da:	6.32
IP(EA), eV:	-11.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CC(=O)OCC(=C)S(=O)(=O)O

DOS

IR

Vibrations