Geometry & MOs

Info

ID:	37738
PubChem CID:	8023851
Reduced:	ClSN2O2H15C17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-41.2
Dipole, Da:	3.88
IP(EA), eV:	-8.4(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCOC(=O)C1=C(C2=C(S1)N=C(C=C2)C3=CC=C(C=C3)Cl)N

DOS

IR

Vibrations