Geometry & MOs

Info

ID:	140203
PubChem CID:	52662067
Reduced:	N2O3C22H22 (1)
Stoich.:	A2B3C22D22 (1)
Weight, g/mol:	413.036768
ΔH_f, kcal/mol:	-47.65
Dipole, Da:	1.74
IP(EA), eV:	-8.75(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dichloro-N-(2-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)CNC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations