Geometry & MOs

Info

ID:	379307
PubChem CID:	134357697
Reduced:	F2N3O5C25H33 (1)
Stoich.:	A2B3C5D25E33 (1)
Weight, g/mol:	328.148616
ΔH_f, kcal/mol:	-254.18
Dipole, Da:	5.05
IP(EA), eV:	-8.65(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2-difluoro-3-[(2R,5S)-5-phenylmethoxyoxan-2-yl]propyl] acetate

Drug info:

PubChemData

Smile

C[C@@H](COC1CCC(CC1)OC2=NC3=C(C=C(C(=C3N2C)F)OC4CC5(C4)COC5)F)NC(=O)C

DOS

IR

Vibrations