Geometry & MOs

Info

ID:	298087
PubChem CID:	117647480
Reduced:	OF2N9C20H23 (1)
Stoich.:	AB2C9D20E23 (1)
Weight, g/mol:	490.225243
ΔH_f, kcal/mol:	-16.96
Dipole, Da:	2.71
IP(EA), eV:	-9.0(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(3S)-1-acetyl-3-aminopiperidin-4-yl]amino]-5-fluoro-2-[(3-fluoro-2-morpholin-4-ylpyridin-4-yl)amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC2=NC(=C(C=C2C(=O)N)F)NC3CCC[C@@H]([C@@H]3N)F)N4N=CC=N4

DOS

IR

Vibrations