Geometry & MOs

Info

ID:	392274
PubChem CID:	135014087
Reduced:	NSO7C28H33 (1)
Stoich.:	ABC7D28E33 (1)
Weight, g/mol:	309.03515
ΔH_f, kcal/mol:	-174.65
Dipole, Da:	6.01
IP(EA), eV:	-9.36(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3Z)-5,9-dimethyl-10-iodoniabicyclo[7.1.0]dec-3-ene-4,6-diol

Drug info:

PubChemData

Smile

CO/N=C/C(C(C(COS(=O)(=O)C)OCC1=CC=CC=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations