Geometry & MOs

Info

ID:	132706
PubChem CID:	51404001
Reduced:	SO2N4H15C20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	227.093286
ΔH_f, kcal/mol:	86.43
Dipole, Da:	6.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.148004
Charge, e:	-1

Chem-info

IUPAC name:

[(1S,4R)-4,7,7-tricyano-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptan-3-ylidene]azanide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C[C@H]2C(=NC(=NN/C=C/3\C=NC4=CC=CC=C43)S2)[O-]

DOS

IR

Vibrations