Geometry & MOs

Info

ID:	155528
PubChem CID:	56365864
Reduced:	ClFN3O3C25H29 (1)
Stoich.:	ABC3D3E25F29 (1)
Weight, g/mol:	433.182398
ΔH_f, kcal/mol:	-154.54
Dipole, Da:	4.29
IP(EA), eV:	-9.41(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)CCNC(=O)C3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations