Geometry & MOs

Info

ID:	1065
PubChem CID:	3743
Reduced:	I3N3O8C18H24 (1)
Stoich.:	A3B3C8D18E24 (1)
Weight, g/mol:	790.8698
ΔH_f, kcal/mol:	-274.26
Dipole, Da:	2.53
IP(EA), eV:	-8.59(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations