Geometry & MOs

Info

ID:	406142
PubChem CID:	135076676
Reduced:	BrSO2N3C10H10 (1)
Stoich.:	ABC2D3E10F10 (1)
Weight, g/mol:	175.060923
ΔH_f, kcal/mol:	18.23
Dipole, Da:	4.86
IP(EA), eV:	-8.92(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;1-cyanocyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC(=C(S1)C)Br)/N=[N+]=[N-]

DOS

IR

Vibrations