Geometry & MOs

Info

ID:	298086
PubChem CID:	117647479
Reduced:	FO2N8C20H27 (1)
Stoich.:	AB2C8D20E27 (1)
Weight, g/mol:	443.199363
ΔH_f, kcal/mol:	-67.41
Dipole, Da:	3.49
IP(EA), eV:	-8.62(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2R,3S)-2-amino-3-fluorocyclohexyl]amino]-5-fluoro-2-[[6-methyl-5-(triazol-2-yl)pyridin-3-yl]amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC([C@H](C1)N)NC2=C(C=C(C(=N2)NC3=CN=C(N=C3)N4CCOCC4)C(=O)N)F

DOS

IR

Vibrations