Geometry & MOs

Info

ID:	177143
PubChem CID:	76141243
Reduced:	O9C59H106 (1)
Stoich.:	A9B59C106 (1)
Weight, g/mol:	412.108207
ΔH_f, kcal/mol:	-563.0
Dipole, Da:	2.69
IP(EA), eV:	-9.44(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-4-fluoro-5-(5-fluoro-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CCCCCCC(CC=CCCCCCCCC(=O)OCC(C1(CC1)OC(=O)CCCCCCCC=CCC(CCCCCC)O)OC(=O)CCCCCCCC=CCC(CCCCCC)O)O

DOS

IR

Vibrations