Geometry & MOs

Info

ID:	77483
PubChem CID:	49647611
Reduced:	Cl2N2O3H12C21 (1)
Stoich.:	A2B2C3D12E21 (1)
Weight, g/mol:	406.098728
ΔH_f, kcal/mol:	7.7
Dipole, Da:	7.07
IP(EA), eV:	-9.89(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-pyridin-3-yloxybenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)C(C#N)C(=O)C2=CC(=CC(=C2)Cl)Cl)OC3=CN=CC=C3

DOS

IR

Vibrations