Geometry & MOs

Info

ID:	233072
PubChem CID:	87692383
Reduced:	FSCl2N3O3C22H22 (1)
Stoich.:	ABC2D3E3F22G22 (1)
Weight, g/mol:	461.097619
ΔH_f, kcal/mol:	-141.04
Dipole, Da:	1.83
IP(EA), eV:	-9.23(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(3-chloro-2-fluorophenoxy)-6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC2=NC(=CC(=C2)OC3=C(C(=CC=C3)Cl)F)NC4=NC=CS4)C(=O)O.Cl

DOS

IR

Vibrations