Geometry & MOs

Info

ID:	222798
PubChem CID:	85332530
Reduced:	NS2F5O5H16C22 (1)
Stoich.:	AB2C5D5E16F22 (1)
Weight, g/mol:	533.212613
ΔH_f, kcal/mol:	-358.93
Dipole, Da:	6.35
IP(EA), eV:	-9.04(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[piperidine-4,9'-xanthene]-1-ylpropyl)-1,3-oxazolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=CC(=C2)C=C3C(=O)N(C(=S)S3)CC(=O)O)OCC(C(F)(F)F)(F)F

DOS

IR

Vibrations