Geometry & MOs

Info

ID:	155556
PubChem CID:	56365892
Reduced:	N3O3C29H29 (1)
Stoich.:	A3B3C29D29 (1)
Weight, g/mol:	458.123105
ΔH_f, kcal/mol:	-28.13
Dipole, Da:	3.28
IP(EA), eV:	-9.12(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-3-chloro-6-fluoro-N-propyl-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5

DOS

IR

Vibrations