Geometry & MOs

Info

ID:	388228
PubChem CID:	134988552
Reduced:	NF2O2C12H21 (1)
Stoich.:	AB2C2D12E21 (1)
Weight, g/mol:	305.94808
ΔH_f, kcal/mol:	-207.34
Dipole, Da:	4.44
IP(EA), eV:	-10.11(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[(E)-1-chloro-2-propylsulfanylethenoxy]benzene

Drug info:

PubChemData

Smile

CCCCC[C@H]1C(C(=O)N1[C@@H](CC)CO)(F)F

DOS

IR

Vibrations