Geometry & MOs

Info

ID:	243553
PubChem CID:	99226755
Reduced:	FOSN5H22C23 (1)
Stoich.:	ABCD5E22F23 (1)
Weight, g/mol:	358.076297
ΔH_f, kcal/mol:	33.99
Dipole, Da:	4.11
IP(EA), eV:	-8.89(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-fluorophenyl)-1,3-thiazol-5-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2S1)N3CCN(CC3)C(=O)C4=NN(C=C4)C5=CC(=CC=C5)F

DOS

IR

Vibrations