Geometry & MOs

Info

ID:	204484
PubChem CID:	79970792
Reduced:	ON2S2C10H14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	290.000213
ΔH_f, kcal/mol:	-12.74
Dipole, Da:	3.3
IP(EA), eV:	-8.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)ethanone

Drug info:

PubChemData

Smile

CCN1C=CN=C1C(=O)C2CSCCS2

DOS

IR

Vibrations