Geometry & MOs

Info

ID:	227136
PubChem CID:	87560316
Reduced:	FSN2O2C27H31 (1)
Stoich.:	ABC2D2E27F31 (1)
Weight, g/mol:	389.02498
ΔH_f, kcal/mol:	-35.1
Dipole, Da:	3.46
IP(EA), eV:	-8.81(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-(2,4,6-trimethylphenyl)iodanium

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CCC2(C4=CC=C(C=C4)F)C(=O)S)CCC5=CC6=C(CC35C)C=NN6)O

DOS

IR

Vibrations