Geometry & MOs

Info

ID:	268285
PubChem CID:	103598743
Reduced:	SO2N4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	383.189672
ΔH_f, kcal/mol:	14.0
Dipole, Da:	6.91
IP(EA), eV:	-8.64(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-phenylethoxy)piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C=CC2=CSC(=N2)C)NC(=O)C3=CC=NC=C3

DOS

IR

Vibrations