Geometry & MOs

Info

ID:	415622
PubChem CID:	135088621
Reduced:	FN3O5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	-166.28
Dipole, Da:	3.32
IP(EA), eV:	-9.4(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CCCN1CCN(CC1=O)C2=NOC(=C2C(=O)O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations