Geometry & MOs

Info

ID:	54790
PubChem CID:	17389282
Reduced:	OSN4C17H17 (1)
Stoich.:	ABC4D17E17 (1)
Weight, g/mol:	230.031688
ΔH_f, kcal/mol:	61.59
Dipole, Da:	5.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.972372
Charge, e:	0

Chem-info

IUPAC name:

sodium;[2-(6-amino-3,5-dicyanopyridin-2-yl)-2-cyanoethenylidene]azanide

Drug info:

PubChemData

Smile

C[C@]1([C@@H]([C@H](C(=C(N1)S)C#N)C2=CC=NC=C2)[N+]3=CC=CC=C3)O

DOS

IR

Vibrations