Geometry & MOs

Info

ID:	298076
PubChem CID:	117647453
Reduced:	FON8C26H31 (1)
Stoich.:	ABC8D26E31 (1)
Weight, g/mol:	451.205339
ΔH_f, kcal/mol:	24.34
Dipole, Da:	7.82
IP(EA), eV:	-7.94(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(3R,4S)-4-amino-1-methylsulfanylpentan-3-yl]amino]-5-fluoro-2-[3-(2-methoxyethoxy)anilino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)NC3=NC(=C(C=C3C(=O)N)F)N[C@H](C4=CC=CC=C4)[C@H](C)N)C(=N1)N(C)C

DOS

IR

Vibrations