Geometry & MOs

Info

ID:	18757
PubChem CID:	547438
Reduced:	NiSN2O4C16H26 (1)
Stoich.:	ABC2D4E16F26 (1)
Weight, g/mol:	400.09667
ΔH_f, kcal/mol:	10.36
Dipole, Da:	5.66
IP(EA), eV:	-7.52(-3.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(benzenesulfonyl)propanoate;nickel(2+);N,N,N',N'-tetramethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CN(C)CCN(C)C.COC(=O)[CH-][CH-]S(=O)(=O)C1=CC=CC=C1.[Ni+2]

DOS

IR

Vibrations