Geometry & MOs

Info

ID:	227856
PubChem CID:	87562724
Reduced:	ClPS3C6O14H18 (1)
Stoich.:	ABC3D6E14F18 (1)
Weight, g/mol:	399.169525
ΔH_f, kcal/mol:	-698.01
Dipole, Da:	4.56
IP(EA), eV:	-11.29(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)OCC.OS(=O)(=O)OS(=O)(=O)O.OS(=O)(=O)Cl

DOS

IR

Vibrations