Geometry & MOs

Info

ID:	372918
PubChem CID:	131307060
Reduced:	FNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	255.002386
ΔH_f, kcal/mol:	-77.19
Dipole, Da:	3.07
IP(EA), eV:	-8.72(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-3-methylsulfonylbenzoyl cyanide

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC2=C(C(=C1)F)OCC2)N

DOS

IR

Vibrations