Geometry & MOs

Info

ID:	449722
PubChem CID:	135300947
Reduced:	ON8C26H36 (1)
Stoich.:	AB8C26D36 (1)
Weight, g/mol:	706.98367
ΔH_f, kcal/mol:	35.35
Dipole, Da:	8.08
IP(EA), eV:	-7.95(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[3,5-bis(1,3-dihydroxypropan-2-ylcarbamoyl)-2,6-diiodo-4-methylanilino]-1-oxopropan-2-yl] acetate

Drug info:

PubChemData

Smile

CCN(CC)C1CCN(C1)C2=CN=C(C=C2)NC3=NC=C4C=C5C(=O)NCCCCCCN5C4=N3

DOS

IR

Vibrations