Geometry & MOs

Info

ID:	266886
PubChem CID:	103579876
Reduced:	FSN3H10C15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	264.118401
ΔH_f, kcal/mol:	75.51
Dipole, Da:	2.27
IP(EA), eV:	-9.27(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(oxolan-2-ylmethylsulfanyl)-1-phenylbutan-1-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NC=CN2CC3=CC(=C(C=C3)F)C#N

DOS

IR

Vibrations