Geometry & MOs

Info

ID:	365625
PubChem CID:	127318346
Reduced:	BrSO2N3H10C11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	9.09
Dipole, Da:	4.4
IP(EA), eV:	-9.41(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclohexyl]acetamide

Drug info:

PubChemData

Smile

C1CC(=O)NCC1C2=NC(=NO2)C3=CC(=CS3)Br

DOS

IR

Vibrations