Geometry & MOs

Info

ID:	425592
PubChem CID:	135126833
Reduced:	SO2N4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	542.15292
ΔH_f, kcal/mol:	70.53
Dipole, Da:	7.07
IP(EA), eV:	-9.42(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(2-hydroxy-5-oxo-2H-furan-3-yl)-3-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl] hypoiodite

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC2=NN3C(=N)/C(=C\C4=CC=CC=C4)/C(=O)N=C3S2

DOS

IR

Vibrations