Geometry & MOs

Info

ID:	127144
PubChem CID:	50992650
Reduced:	PSN2O5H9C11 (1)
Stoich.:	ABC2D5E9F11 (1)
Weight, g/mol:	632.7101
ΔH_f, kcal/mol:	-156.04
Dipole, Da:	6.53
IP(EA), eV:	-8.8(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2,4,6-triiodo-5-(sulfinylamino)benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

C1=COC(=C1)C2=C(N=C(S2)N)C3=CC=C(O3)P(=O)(O)O

DOS

IR

Vibrations