Geometry & MOs

Info

ID:	216139
PubChem CID:	85085779
Reduced:	NSC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	232.016971
ΔH_f, kcal/mol:	45.88
Dipole, Da:	5.84
IP(EA), eV:	-8.59(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-4-phenylsulfanylbut-3-en-2-one

Drug info:

PubChemData

Smile

CCCCC=CSCC1=CC=C(C=C1)C#N

DOS

IR

Vibrations