Geometry & MOs

Info

ID:	445640
PubChem CID:	135268706
Reduced:	F2O2N5H21C24 (1)
Stoich.:	A2B2C5D21E24 (1)
Weight, g/mol:	552.11212
ΔH_f, kcal/mol:	-50.74
Dipole, Da:	3.64
IP(EA), eV:	-8.84(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7Z)-7-(3-hydroxypropyl)-5-iodo-2-(3-methoxyphenoxy)-1-(3-methylbutyl)-4,5-dihydrocycloocta[d]imidazole-6,9-dione

Drug info:

PubChemData

Smile

COC1=NC=CN=C1CC2=CC(=C(C=C2)F)C3=NC=NC4=C3C(=CC(=C4)N5CCOCC5)F

DOS

IR

Vibrations