Geometry & MOs

Info

ID:	64856
PubChem CID:	29204098
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	-33.2
Dipole, Da:	2.52
IP(EA), eV:	-9.01(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(E)-3-[(3S,5S)-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=CSC(=N2)N(C3=CC=CC=C3)C(=O)C)C

DOS

IR

Vibrations