Geometry & MOs

Info

ID:	149417
PubChem CID:	53789090
Reduced:	NSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	441.152241
ΔH_f, kcal/mol:	-75.28
Dipole, Da:	1.84
IP(EA), eV:	-8.76(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1,3-benzothiazol-5-yl)carbamate

Drug info:

PubChemData

Smile

COC(=O)N[C@@H](CSC1=CC=CC=C1)C2CO2

DOS

IR

Vibrations