Geometry & MOs

Info

ID:	1063
PubChem CID:	3741
Reduced:	INO3C6H8 (3)
Stoich.:	ABC3D6E8 (3)
Weight, g/mol:	806.8647
ΔH_f, kcal/mol:	-310.21
Dipole, Da:	1.95
IP(EA), eV:	-8.38(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO

DOS

IR

Vibrations