Geometry & MOs

Info

ID:	396456
PubChem CID:	135028440
Reduced:	SO2N3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	266.22458
ΔH_f, kcal/mol:	52.42
Dipole, Da:	5.51
IP(EA), eV:	-10.05(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane

Drug info:

PubChemData

Smile

C=CC1CC(C(N1S(=O)(=O)C=C)C2=CC=CC=C2)(C#N)C#N

DOS

IR

Vibrations