Geometry & MOs

Info

ID:	121444
PubChem CID:	50768269
Reduced:	ClO2S2N3H20C22 (1)
Stoich.:	AB2C2D3E20F22 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-7.01
Dipole, Da:	6.08
IP(EA), eV:	-8.35(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1C2=C(SC(=S)N2C3=CC=CC=C3C1=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations