Geometry & MOs

Info

ID:	372879
PubChem CID:	131306523
Reduced:	FOSC11H13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	212.067114
ΔH_f, kcal/mol:	-80.24
Dipole, Da:	2.21
IP(EA), eV:	-8.68(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethyl-4-fluoro-5-methylsulfanylphenyl)ethanone

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1)SC)F)C(=O)C

DOS

IR

Vibrations