Geometry & MOs

Info

ID:	177054
PubChem CID:	76131218
Reduced:	N3O5C22H33 (1)
Stoich.:	A3B5C22D33 (1)
Weight, g/mol:	472.331251
ΔH_f, kcal/mol:	-239.06
Dipole, Da:	2.67
IP(EA), eV:	-8.31(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-1-[4-hydroxy-5-(1-hydroxynonyl)-4-octyloxolan-2-yl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CNC2=C1C=C(C=C2)O)C(=O)NCCCCCCO

DOS

IR

Vibrations