Geometry & MOs

Info

ID:	201324
PubChem CID:	79525396
Reduced:	ClOS2N3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	327.080826
ΔH_f, kcal/mol:	-2.41
Dipole, Da:	4.37
IP(EA), eV:	-8.79(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-amino-5-chlorophenyl)sulfanylacetyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)CC1=NC(=CS1)CSC2=C(C=CC(=C2)Cl)N

DOS

IR

Vibrations