Geometry & MOs

Info

ID:	43906
PubChem CID:	10321963
Reduced:	SF2O2N5C22H23 (1)
Stoich.:	AB2C2D5E22F23 (1)
Weight, g/mol:	459.159218
ΔH_f, kcal/mol:	-66.3
Dipole, Da:	5.17
IP(EA), eV:	-9.42(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-benzyl-4-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]-2,2,2-trifluoro-N-phenylacetamide

Drug info:

PubChemData

Smile

C1CC(=O)N([C@H]1/C=C/C(C(C2=CC=CC=C2)(F)F)O)CC3=CC=C(S3)CCC4=NNN=N4

DOS

IR

Vibrations