Geometry & MOs

Info

ID:	162347
PubChem CID:	57394376
Reduced:	FSO2N4H17C23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	469.12269
ΔH_f, kcal/mol:	24.89
Dipole, Da:	3.3
IP(EA), eV:	-8.32(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methylcarbamoyl]piperidin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=CC=C2OCC3=CC=C(C=C3)F)/C=C\4/C(=NNC4=O)C5=NC=CS5

DOS

IR

Vibrations