Geometry & MOs

Info

ID:	317378
PubChem CID:	126636937
Reduced:	SF2N3O3C19H21 (1)
Stoich.:	AB2C3D3E19F21 (1)
Weight, g/mol:	301.97039
ΔH_f, kcal/mol:	-159.4
Dipole, Da:	3.87
IP(EA), eV:	-9.57(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dibromo-3-butoxypentane

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=NC2=C(CN(C2)[C@@H]3C[C@@H]([C@H](OC3)C4=C(C=CC(=C4)F)F)N)C=C1

DOS

IR

Vibrations