Geometry & MOs

Info

ID:	155823
PubChem CID:	56367696
Reduced:	SO2N7H21C22 (1)
Stoich.:	AB2C7D21E22 (1)
Weight, g/mol:	420.126755
ΔH_f, kcal/mol:	45.33
Dipole, Da:	8.52
IP(EA), eV:	-8.96(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)SCC3=CC=CC=C3C(=O)NCC(=O)NC4=CN=CC=C4)C

DOS

IR

Vibrations