Geometry & MOs

Info

ID:	61284
PubChem CID:	26707962
Reduced:	N2F3O3H17C23 (1)
Stoich.:	A2B3C3D17E23 (1)
Weight, g/mol:	459.108662
ΔH_f, kcal/mol:	-202.44
Dipole, Da:	4.02
IP(EA), eV:	-9.11(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](OC2=CC=CC=C21)C(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations