Geometry & MOs

Info

ID:	432900
PubChem CID:	135173037
Reduced:	OSN2C8H10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	406.93786
ΔH_f, kcal/mol:	21.71
Dipole, Da:	3.96
IP(EA), eV:	-9.39(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-iodo-1,3-oxazol-2-yl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NOC(C1)C2=CSC(=N2)C

DOS

IR

Vibrations