Geometry & MOs

Info

ID:	226359
PubChem CID:	87350597
Reduced:	ClO7C25H45 (1)
Stoich.:	AB7C25D45 (1)
Weight, g/mol:	643.185193
ΔH_f, kcal/mol:	-404.67
Dipole, Da:	3.16
IP(EA), eV:	-10.89(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-(trifluoromethyl)-N-[[1-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CCCCCCCC[C@H](C(C)CC(C(CCCCCCC)OC(=O)OCCl)C(=O)O)C(=O)O

DOS

IR

Vibrations