Geometry & MOs

Info

ID:	395243
PubChem CID:	135025008
Reduced:	FN2O6C19H19 (1)
Stoich.:	AB2C6D19E19 (1)
Weight, g/mol:	314.097666
ΔH_f, kcal/mol:	-245.79
Dipole, Da:	10.64
IP(EA), eV:	-9.66(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(benzenesulfonylmethyl)-4-(2-methylphenyl)but-3-en-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C(=O)NC(=C2)CC3C(C([C@@H](C(O3)CO)O)O)O)C#N)F

DOS

IR

Vibrations