Geometry & MOs

Info

ID:	35648
PubChem CID:	7980138
Reduced:	SO2N6H12C16 (1)
Stoich.:	AB2C6D12E16 (1)
Weight, g/mol:	395.209658
ΔH_f, kcal/mol:	142.32
Dipole, Da:	7.88
IP(EA), eV:	-9.37(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)S/C(=C\C#N)/C3=CC=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations