Geometry & MOs

Info

ID:	1059
PubChem CID:	3734
Reduced:	I3N3O8C17H22 (1)
Stoich.:	A3B3C8D17E22 (1)
Weight, g/mol:	776.8541
ΔH_f, kcal/mol:	-281.33
Dipole, Da:	4.69
IP(EA), eV:	-9.96(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-triiodobenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O

DOS

IR

Vibrations