Geometry & MOs

Info

ID:	141534
PubChem CID:	52891536
Reduced:	ClN2O2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	325.134779
ΔH_f, kcal/mol:	11.86
Dipole, Da:	4.15
IP(EA), eV:	-9.47(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methylphenoxy)-N-propylacetamide

Drug info:

PubChemData

Smile

C=CCN(CC=C)C(=O)CO/N=C\C1=CC=C(C=C1)Cl

DOS

IR

Vibrations