Geometry & MOs

Info

ID:	441063
PubChem CID:	135232982
Reduced:	ON3C19H33 (1)
Stoich.:	AB3C19D33 (1)
Weight, g/mol:	477.174708
ΔH_f, kcal/mol:	-60.03
Dipole, Da:	4.7
IP(EA), eV:	-8.91(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-hydroxypiperidin-1-yl)quinolin-6-yl] 3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)pyridine-1-carboximidothioate

Drug info:

PubChemData

Smile

CC/C=C(\C=C(/C(=C/C(=NC(=O)C)N)/N)\C(C)(C)C)/C(C)(C)C

DOS

IR

Vibrations