Geometry & MOs

Info

ID:	142582
PubChem CID:	53060514
Reduced:	ClSO2N3H18C22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	376.169939
ΔH_f, kcal/mol:	3.95
Dipole, Da:	4.1
IP(EA), eV:	-9.07(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1C(=NC2=CC=CC=C2N(C1=O)CC(=O)NCC3=CC=CC=C3Cl)C4=CC=CS4

DOS

IR

Vibrations