Geometry & MOs

Info

ID:	5298
PubChem CID:	12923
Reduced:	N2I3O4C13H13 (1)
Stoich.:	A2B3C4D13E13 (1)
Weight, g/mol:	641.8009
ΔH_f, kcal/mol:	-98.75
Dipole, Da:	5.95
IP(EA), eV:	-9.55(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoate

Drug info:

PubChemData

Smile

CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)OC)I

DOS

IR

Vibrations