Geometry & MOs

Info

ID:	447656
PubChem CID:	135284497
Reduced:	ClF3O3N4C22H24 (1)
Stoich.:	AB3C3D4E22F24 (1)
Weight, g/mol:	430.15941
ΔH_f, kcal/mol:	-226.21
Dipole, Da:	8.05
IP(EA), eV:	-9.01(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridin-2-yl]-4-methyl-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC(=NN3C2=NC(=C3)C(F)(F)F)Cl)OCC(C)(CC(C)C)NC(=O)O

DOS

IR

Vibrations