Geometry & MOs

Info

ID:	221353
PubChem CID:	85267809
Reduced:	NSF3O4C18H24 (1)
Stoich.:	ABC3D4E18F24 (1)
Weight, g/mol:	408.132136
ΔH_f, kcal/mol:	-308.01
Dipole, Da:	2.38
IP(EA), eV:	-8.92(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-dihydroxy-5-(2-oxo-5-phenylpyrimidin-1-yl)oxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CCCN(C1CCCC1)C2CC3=C(C=CC=C3OS(=O)(=O)C(F)(F)F)OC2

DOS

IR

Vibrations