Geometry & MOs

Info

ID:	325688
PubChem CID:	126684498
Reduced:	ClFN2O3H18C20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	306.194343
ΔH_f, kcal/mol:	-118.67
Dipole, Da:	7.55
IP(EA), eV:	-9.77(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-3-[4-(3-methoxy-1,2-oxazol-5-yl)-4-methylpentyl]-1,2-oxazole

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[C@H](C[C@@H](CC#N)C(=O)O)NC=O)C2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations