Geometry & MOs

Info

ID:	440245
PubChem CID:	135230176
Reduced:	NSC6H15 (1)
Stoich.:	ABC6D15 (1)
Weight, g/mol:	184.053356
ΔH_f, kcal/mol:	-25.87
Dipole, Da:	1.51
IP(EA), eV:	-8.89(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,3,3-trifluoropropylsulfanyl)but-1-ene

Drug info:

PubChemData

Smile

CCCCC(NC)S

DOS

IR

Vibrations