Geometry & MOs

Info

ID:	227132
PubChem CID:	87560309
Reduced:	O2N3C19H19 (1)
Stoich.:	A2B3C19D19 (1)
Weight, g/mol:	702.383824
ΔH_f, kcal/mol:	27.75
Dipole, Da:	4.59
IP(EA), eV:	-8.91(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

magnesium;3-dodecyl-4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(=O)C(CC#N)N/N=C(\C1=CC=CC=C1)/OCC2=CC=CC=C2

DOS

IR

Vibrations