Geometry & MOs

Info

ID:	409549
PubChem CID:	135082331
Reduced:	BrMgNO3C5H8 (1)
Stoich.:	ABCD3E5F8 (1)
Weight, g/mol:	765.025849
ΔH_f, kcal/mol:	-198.23
Dipole, Da:	3.76
IP(EA), eV:	-10.11(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,8S)-1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-2-methyl-4,8-di(propan-2-yl)-3-(trichloromethylsulfonyl)-6-(2,2,2-trifluoroethyl)-1,3,6,2-triazalumocane

Drug info:

PubChemData

Smile

C1COCCN1C(=O)[O-].[Mg+2].[Br-]

DOS

IR

Vibrations