Geometry & MOs

Info

ID:	140578
PubChem CID:	52722299
Reduced:	SN3O3C14H15 (1)
Stoich.:	AB3C3D14E15 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-52.46
Dipole, Da:	4.84
IP(EA), eV:	-9.01(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C(=O)NC2=NC=CS2)C(=O)C3=CC=CO3

DOS

IR

Vibrations