Geometry & MOs

Info

ID:	242952
PubChem CID:	99214441
Reduced:	FSN3O4H18C22 (1)
Stoich.:	ABC3D4E18F22 (1)
Weight, g/mol:	469.167142
ΔH_f, kcal/mol:	-101.42
Dipole, Da:	7.3
IP(EA), eV:	-9.24(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(5-cyano-2-ethoxyphenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C#N)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations