Geometry & MOs

Info

ID:	155469
PubChem CID:	56365749
Reduced:	N3O4C23H35 (1)
Stoich.:	A3B4C23D35 (1)
Weight, g/mol:	428.193378
ΔH_f, kcal/mol:	-201.32
Dipole, Da:	6.24
IP(EA), eV:	-9.4(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-3-(4-fluorophenyl)sulfanyl-N-propylpropanamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)CCNC(=O)OC(C)(C)C

DOS

IR

Vibrations