Geometry & MOs

Info

ID:	202427
PubChem CID:	79671464
Reduced:	SO3N5C12H13 (1)
Stoich.:	AB3C5D12E13 (1)
Weight, g/mol:	262.047522
ΔH_f, kcal/mol:	-34.25
Dipole, Da:	3.62
IP(EA), eV:	-9.16(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)-2-(2,3-dihydroxypropylsulfanyl)ethanone

Drug info:

PubChemData

Smile

C1COC(CN1S(=O)(=O)C2=C(N=C3N2C=CC=C3)N)C#N

DOS

IR

Vibrations