Geometry & MOs

Info

ID:	231801
PubChem CID:	87574682
Reduced:	ClSO4N5C23H26 (1)
Stoich.:	ABC4D5E23F26 (1)
Weight, g/mol:	294.04697
ΔH_f, kcal/mol:	-98.61
Dipole, Da:	1.7
IP(EA), eV:	-8.62(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

magnesium;[(2S)-2-methanidyl-3-methylbutoxy]methylbenzene;bromide

Drug info:

PubChemData

Smile

COCCOC(=O)CNC1=NC2=CN=C(N=C2S1)N3CCC4(CCC5=C(O4)C=CC=C5Cl)CC3

DOS

IR

Vibrations