Geometry & MOs

Info

ID:	136060
PubChem CID:	51973242
Reduced:	N4O4C23H24 (1)
Stoich.:	A4B4C23D24 (1)
Weight, g/mol:	347.086567
ΔH_f, kcal/mol:	-49.38
Dipole, Da:	13.47
IP(EA), eV:	-8.78(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(3R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H](C3=CNC4=C3C=C(C=C4)OCC#N)C(=O)[O-]

DOS

IR

Vibrations