Geometry & MOs

Info

ID:	45742
PubChem CID:	10517235
Reduced:	BrOSiC12H17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	285.121237
ΔH_f, kcal/mol:	-53.73
Dipole, Da:	2.85
IP(EA), eV:	-8.62(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5S,6R)-6-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

Drug info:

PubChemData

Smile

C[Si](C)(C)C(=O)CCC1=CC=CC=C1Br

DOS

IR

Vibrations