Geometry & MOs

Info

ID:	177254
PubChem CID:	76155038
Reduced:	FSO2N6C22H23 (1)
Stoich.:	ABC2D6E22F23 (1)
Weight, g/mol:	474.094409
ΔH_f, kcal/mol:	-3.24
Dipole, Da:	2.69
IP(EA), eV:	-8.41(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C(C)(C)O)C2=CC(=C(N=C2)N)OC(C)C3=C(C=CC(=C3)F)N4N=CC=N4

DOS

IR

Vibrations