Geometry & MOs

Info

ID:	140911
PubChem CID:	52782989
Reduced:	SN3O3C24H29 (1)
Stoich.:	AB3C3D24E29 (1)
Weight, g/mol:	415.166269
ΔH_f, kcal/mol:	-81.86
Dipole, Da:	1.99
IP(EA), eV:	-8.34(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-chloro-2-methylphenoxy)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CSC2=CC=CC=C2C(=O)NCC(=O)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations