Geometry & MOs

Info

ID:	227515
PubChem CID:	87561898
Reduced:	SN3O3C17H17 (1)
Stoich.:	AB3C3D17E17 (1)
Weight, g/mol:	391.96311
ΔH_f, kcal/mol:	-20.71
Dipole, Da:	3.65
IP(EA), eV:	-9.07(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(S1)C2=CC\3=C(C(=C2)C)N=C/C3=C\NO)C

DOS

IR

Vibrations