Geometry & MOs

Info

ID:	1061
PubChem CID:	3736
Reduced:	I3N3O8C18H24 (1)
Stoich.:	A3B3C8D18E24 (1)
Weight, g/mol:	790.8698
ΔH_f, kcal/mol:	-278.09
Dipole, Da:	7.0
IP(EA), eV:	-8.77(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-3-N-methylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I

DOS

IR

Vibrations