Geometry & MOs

Info

ID:	447665
PubChem CID:	135284547
Reduced:	ClFN4H6C11 (1)
Stoich.:	ABC4D6E11 (1)
Weight, g/mol:	413.224932
ΔH_f, kcal/mol:	63.77
Dipole, Da:	2.87
IP(EA), eV:	-9.52(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-amino-2,4-dimethylpentoxy)-3-methylphenyl]-4-methyl-5-pyrimidin-2-yl-5H-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

C1=C(N2C(=CC=N2)N=C1)C3=CC(=C(N=C3)F)Cl

DOS

IR

Vibrations