Geometry & MOs

Info

ID:	138029
PubChem CID:	52301431
Reduced:	FO2N3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	478.113333
ΔH_f, kcal/mol:	-107.23
Dipole, Da:	5.12
IP(EA), eV:	-8.93(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-oxo-3-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanenitrile

Drug info:

PubChemData

Smile

CCC1=C(NC(=C1C(=O)C)C)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations