Geometry & MOs

Info

ID:	138024
PubChem CID:	52301426
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	478.113333
ΔH_f, kcal/mol:	-90.97
Dipole, Da:	4.19
IP(EA), eV:	-8.43(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-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

CC1=C(C=C(C=C1)NC(=O)NC[C@H](C2=CC=CO2)N3CCCC3)NC(=O)C

DOS

IR

Vibrations