Geometry & MOs

Info

ID:	162725
PubChem CID:	57551951
Reduced:	FO3H9C10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	470.196332
ΔH_f, kcal/mol:	-140.29
Dipole, Da:	0.18
IP(EA), eV:	-10.4(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]ethyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C(=O)CF

DOS

IR

Vibrations