Geometry & MOs

Info

ID:	196502
PubChem CID:	78838937
Reduced:	ClFON3H13C16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	380.110711
ΔH_f, kcal/mol:	-28.11
Dipole, Da:	2.97
IP(EA), eV:	-9.33(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzothiazol-2-yl)-N-(2-cyano-4-fluorophenyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)NC(=O)NC2=C(C=C(C=C2)F)C#N

DOS

IR

Vibrations