Geometry & MOs

Info

ID:	422536
PubChem CID:	135118004
Reduced:	SN3O5C21H25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	341.152161
ΔH_f, kcal/mol:	-177.17
Dipole, Da:	7.36
IP(EA), eV:	-9.52(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)C(=O)C3=CSC=C3)OC[C@@H]1O)NC(=O)C4=CC=CC(=O)N4

DOS

IR

Vibrations