Geometry & MOs

Info

ID:	280448
PubChem CID:	103849350
Reduced:	NO3F4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	315.069592
ΔH_f, kcal/mol:	-320.34
Dipole, Da:	6.06
IP(EA), eV:	-10.03(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chlorophenyl)methylsulfanyl]-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)C2=CC(=C(C=C2)F)C(F)(F)F)O

DOS

IR

Vibrations