Geometry & MOs

Info

ID:	168622
PubChem CID:	74996445
Reduced:	SO2N3H6C9 (2)
Stoich.:	AB2C3D6E9 (2)
Weight, g/mol:	221.081871
ΔH_f, kcal/mol:	122.91
Dipole, Da:	4.33
IP(EA), eV:	-8.74(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-carboxycyclohexyl)-2-oxoethyl]azanium;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[N+](=O)[O-])SC(=C(C#N)C(=C(N)SC2=CC=CC=C2[N+](=O)[O-])C#N)N

DOS

IR

Vibrations