Geometry & MOs

Info

ID:	381284
PubChem CID:	134971969
Reduced:	BrO2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	373.246438
ΔH_f, kcal/mol:	-28.65
Dipole, Da:	3.33
IP(EA), eV:	-8.88(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-4-cyclohexyl-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Drug info:

PubChemData

Smile

C[C@]12CCC3C(C1CCC2=O)C=C(C4=CC(=O)CC[C@]34C)Br

DOS

IR

Vibrations