Geometry & MOs

Info

ID:	155728
PubChem CID:	56367198
Reduced:	SN4O5C19H24 (1)
Stoich.:	AB4C5D19E24 (1)
Weight, g/mol:	412.191069
ΔH_f, kcal/mol:	-158.72
Dipole, Da:	2.53
IP(EA), eV:	-9.78(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorobenzoyl)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)C(=O)NCCC(=O)NCC2=CC=NC=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations