Geometry & MOs

Info

ID:	132257
PubChem CID:	51330410
Reduced:	SN2O3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	331.108068
ΔH_f, kcal/mol:	47.17
Dipole, Da:	4.32
IP(EA), eV:	-9.13(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C#C

DOS

IR

Vibrations