Geometry & MOs

Info

ID:	221631
PubChem CID:	85285785
Reduced:	PN2F3O8C9H14 (1)
Stoich.:	AB2C3D8E9F14 (1)
Weight, g/mol:	568.19196
ΔH_f, kcal/mol:	-547.34
Dipole, Da:	4.2
IP(EA), eV:	-10.33(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 2-[5-(2-oxo-2-phenoxyethyl)-3,4-bis(phenylmethoxy)thiolan-2-yl]acetate

Drug info:

PubChemData

Smile

C(C(C(C1C(C(=O)N1CP(=O)(O)O)NC(=O)C(F)(F)F)O)O)O

DOS

IR

Vibrations