Geometry & MOs

Info

ID:	122548
PubChem CID:	50811828
Reduced:	BrSO3N6H15C19 (1)
Stoich.:	ABC3D6E15F19 (1)
Weight, g/mol:	452.143073
ΔH_f, kcal/mol:	56.26
Dipole, Da:	4.68
IP(EA), eV:	-9.05(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-3-[3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NN=C(O2)SCC3=NOC(=N3)CCC(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations