Geometry & MOs

Info

ID:	157798
PubChem CID:	56437303
Reduced:	SO2N6H24C25 (1)
Stoich.:	AB2C6D24E25 (1)
Weight, g/mol:	424.173311
ΔH_f, kcal/mol:	43.4
Dipole, Da:	8.51
IP(EA), eV:	-8.38(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-fluorophenyl)methyl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1SC2=CC=C(C=C2)NC(=O)CCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

DOS

IR

Vibrations