Geometry & MOs

Info

ID:	317670
PubChem CID:	126644895
Reduced:	FSO2N3H16C17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	488.289974
ΔH_f, kcal/mol:	-62.06
Dipole, Da:	3.25
IP(EA), eV:	-8.68(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC1=CC=C(C=C1)OC2=NC3=C(C=CC=C3S2)F

DOS

IR

Vibrations