Geometry & MOs

Info

ID:	378885
PubChem CID:	134224987
Reduced:	N3O4C26H49 (1)
Stoich.:	A3B4C26D49 (1)
Weight, g/mol:	326.041581
ΔH_f, kcal/mol:	-280.78
Dipole, Da:	4.62
IP(EA), eV:	-9.64(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-chloro-5-methyltriazol-4-yl)-1-fluoroethyl]sulfinyl-4-fluoro-5,5-dimethyl-4H-1,2-oxazole

Drug info:

PubChemData

Smile

CC(C)(C)CC(C(=O)OCCCCCC(=O)NCC1CCCC(C1)CNC(=O)N)C(C)(C)C

DOS

IR

Vibrations