Geometry & MOs

Info

ID:	308234
PubChem CID:	125324330
Reduced:	SN2O5C16H16 (1)
Stoich.:	AB2C5D16E16 (1)
Weight, g/mol:	392.065173
ΔH_f, kcal/mol:	-130.31
Dipole, Da:	6.61
IP(EA), eV:	-9.45(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CN(CC2=CCC(=O)N=C21)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations