Geometry & MOs

Info

ID:	157137
PubChem CID:	56422177
Reduced:	FN3O4C22H28 (1)
Stoich.:	AB3C4D22E28 (1)
Weight, g/mol:	458.124647
ΔH_f, kcal/mol:	-196.26
Dipole, Da:	6.68
IP(EA), eV:	-8.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(5-fluoro-2-piperidin-1-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OCCOC)C)C(=O)NC2=C(C=CC(=C2)F)N3CCCCC3

DOS

IR

Vibrations