Geometry & MOs

Info

ID:	43688
PubChem CID:	10321650
Reduced:	ClOF3N4C22H24 (1)
Stoich.:	ABC3D4E22F24 (1)
Weight, g/mol:	452.02191
ΔH_f, kcal/mol:	-124.43
Dipole, Da:	3.86
IP(EA), eV:	-8.37(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-2-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

CN1CCN(C[C@@H]1CCOC)C2=C3C=C(C=CC3=NC4=C(N2)C=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations