Geometry & MOs

Info

ID:	64854
PubChem CID:	29204096
Reduced:	ClON3C18H28 (1)
Stoich.:	ABC3D18E28 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	-45.26
Dipole, Da:	5.14
IP(EA), eV:	-8.95(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(E)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)/C=C/C2=C(N(N=C2C)CC(C)C)Cl)C

DOS

IR

Vibrations