Geometry & MOs

Info

ID:	280367
PubChem CID:	103848661
Reduced:	FN2O5C12H13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	315.069592
ΔH_f, kcal/mol:	-160.52
Dipole, Da:	3.52
IP(EA), eV:	-10.12(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)C2=C(C=CC(=C2)F)[N+](=O)[O-])O

DOS

IR

Vibrations