Geometry & MOs

Info

ID:	233687
PubChem CID:	92092858
Reduced:	OSN3H19C20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	46.93
Dipole, Da:	7.48
IP(EA), eV:	-9.24(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-N-[(2-pyridin-4-ylpyridin-3-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSCC(=O)NCC2=C(N=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations