Geometry & MOs

Info

ID:	243282
PubChem CID:	99218173
Reduced:	ClFSN2O3H16C19 (1)
Stoich.:	ABCD2E3F16G19 (1)
Weight, g/mol:	449.043475
ΔH_f, kcal/mol:	-98.2
Dipole, Da:	3.28
IP(EA), eV:	-8.67(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)Cl)OC

DOS

IR

Vibrations