Geometry & MOs

Info

ID:	77482
PubChem CID:	49647581
Reduced:	ClSN3O3H12C18 (1)
Stoich.:	ABC3D3E12F18 (1)
Weight, g/mol:	410.022498
ΔH_f, kcal/mol:	8.71
Dipole, Da:	7.18
IP(EA), eV:	-8.97(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dichlorobenzoyl)-3-oxo-3-(2-pyridin-3-yloxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)OCC2=C(N=C3N2C=CS3)Cl)OC4=CN=CC=C4

DOS

IR

Vibrations