Geometry & MOs

Info

ID:	218630
PubChem CID:	85089722
Reduced:	O4N7C25H31 (1)
Stoich.:	A4B7C25D31 (1)
Weight, g/mol:	487.228263
ΔH_f, kcal/mol:	-111.92
Dipole, Da:	9.32
IP(EA), eV:	-8.42(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2-cyclohexyl-2-hydroxyacetyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)CC1=CC(=C2NC3CCC(CC3N2)C(=N)N)C(=O)C(=C1)C4=C(C=CC(=C4)CNC(=O)N)O

DOS

IR

Vibrations