Geometry & MOs

Info

ID:	218434
PubChem CID:	85089440
Reduced:	O5C11H21 (2)
Stoich.:	A5B11C21 (2)
Weight, g/mol:	466.246772
ΔH_f, kcal/mol:	-493.46
Dipole, Da:	3.68
IP(EA), eV:	-9.96(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-ethyl-3-methyl-4-oxo-1-(1-phenylpropylcarbamoyl)azetidin-2-yl]oxybenzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCOCC1C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O

DOS

IR

Vibrations