Geometry & MOs

Info

ID:	406164
PubChem CID:	135076734
Reduced:	FO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	543.93038
ΔH_f, kcal/mol:	-261.72
Dipole, Da:	3.58
IP(EA), eV:	-9.85(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R)-4-acetyloxy-2-(2,2-dibromoethenyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC(OC(=O)/C=C/C1=CC(=C(C=C1/C=C/C(=O)OC(C)(C)C)F)F)(C)C

DOS

IR

Vibrations