Geometry & MOs

Info

ID:	39514
PubChem CID:	8141109
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	388.101227
ΔH_f, kcal/mol:	-72.71
Dipole, Da:	6.11
IP(EA), eV:	-9.17(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-benzoylpiperazin-1-yl)-2-(4-chlorophenyl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations