Geometry & MOs

Info

ID:	81655
PubChem CID:	49854972
Reduced:	ClN2O2F4H9C15 (1)
Stoich.:	AB2C2D4E9F15 (1)
Weight, g/mol:	329.16608
ΔH_f, kcal/mol:	-238.26
Dipole, Da:	3.27
IP(EA), eV:	-9.62(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-N-[(3S)-2-oxooxolan-3-yl]-12-sulfanyldodecanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)Cl)NC(=O)NC2=CC(=CC(=C2)C=O)F

DOS

IR

Vibrations