Geometry & MOs

Info

ID:	58170
PubChem CID:	24424548
Reduced:	OSF3N3C19H22 (1)
Stoich.:	ABC3D3E19F22 (1)
Weight, g/mol:	387.114044
ΔH_f, kcal/mol:	-140.14
Dipole, Da:	8.64
IP(EA), eV:	-8.5(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-hydroxy-4-methoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CN(C)C(CNC(=S)NC1=CC=CC(=C1)C(F)(F)F)C2=CC=CC=C2OC

DOS

IR

Vibrations