Geometry & MOs

Info

ID:	400145
PubChem CID:	135045957
Reduced:	CuMgBr2C6H11 (1)
Stoich.:	ABC2D6E11 (1)
Weight, g/mol:	453.19738
ΔH_f, kcal/mol:	17.47
Dipole, Da:	2.85
IP(EA), eV:	-8.23(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3S,4S)-3-[N-(benzenesulfonyl)anilino]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (E)-but-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C=[CH-].[Mg+2].[Cu+].[Br-].[Br-]

DOS

IR

Vibrations