Geometry & MOs

Info

ID:	32791
PubChem CID:	7848459
Reduced:	SN2O4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	323.995614
ΔH_f, kcal/mol:	-138.33
Dipole, Da:	7.49
IP(EA), eV:	-9.58(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)-2-(3,5-dichlorophenoxy)ethanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)OC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

DOS

IR

Vibrations