Geometry & MOs

Info

ID:	296991
PubChem CID:	117605088
Reduced:	NSO2F3H10C13 (1)
Stoich.:	ABC2D3E10F13 (1)
Weight, g/mol:	112.088815
ΔH_f, kcal/mol:	-178.02
Dipole, Da:	2.52
IP(EA), eV:	-9.51(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-but-1-enyl]-3-methyloxirane

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC=O)C2=NSC(=C2CO)C(F)(F)F

DOS

IR

Vibrations