Geometry & MOs

Info

ID:	383432
PubChem CID:	134975153
Reduced:	N2O2S2C20H31 (1)
Stoich.:	A2B2C2D20E31 (1)
Weight, g/mol:	394.01773
ΔH_f, kcal/mol:	-79.69
Dipole, Da:	5.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.964068
Charge, e:	-2

Chem-info

IUPAC name:

2,6-bis(3-methyl-2H-imidazol-2-id-1-yl)pyridin-1-ium;bromonickel;carbanide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)C2=[N+](C(=CS2)C(C)(C)C)COC(=O)C(C)(C)C

DOS

IR

Vibrations