Geometry & MOs

Info

ID:	127928
PubChem CID:	51023214
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	501.0971
ΔH_f, kcal/mol:	-73.51
Dipole, Da:	1.21
IP(EA), eV:	-10.01(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (1R,3S,4S,5S,6S)-5-acetyloxy-6-bromo-3-[[dimethyl(phenyl)silyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C=C/1\C[C@@H]2C[C@@H]1C=C2

DOS

IR

Vibrations