Geometry & MOs

Info

ID:	324390
PubChem CID:	126677563
Reduced:	SO4F6N6H24C30 (1)
Stoich.:	AB4C6D6E24F30 (1)
Weight, g/mol:	341.117353
ΔH_f, kcal/mol:	-332.19
Dipole, Da:	1.79
IP(EA), eV:	-8.77(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-prop-1-en-2-yl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(F)(F)F)N\2C(=O)CS/C2=N\C(NC3=CC=C(C=C3)/C=C/C4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F)O

DOS

IR

Vibrations