Geometry & MOs

Info

ID:	159323
PubChem CID:	57269567
Reduced:	BrO3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	566.299202
ΔH_f, kcal/mol:	-127.33
Dipole, Da:	4.97
IP(EA), eV:	-9.29(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(2S)-3,3-diethyl-1-[[(1S)-1-(4-methylphenyl)butyl]carbamoyl]-4-oxoazetidin-2-yl]oxybenzoate

Drug info:

PubChemData

Smile

C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(C(=O)CBr)O

DOS

IR

Vibrations