Geometry & MOs

Info

ID:	132191
PubChem CID:	51318063
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	320.04986
ΔH_f, kcal/mol:	-22.29
Dipole, Da:	4.71
IP(EA), eV:	-8.35(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)SC(C)C(=O)NC2=CC=CC=C2OC

DOS

IR

Vibrations