Geometry & MOs

Info

ID:	68735
PubChem CID:	46509000
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	472.193297
ΔH_f, kcal/mol:	-20.67
Dipole, Da:	5.94
IP(EA), eV:	-8.57(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations