Geometry & MOs

Info

ID:	133567
PubChem CID:	51553951
Reduced:	SCl2N3O3H17C20 (1)
Stoich.:	AB2C3D3E17F20 (1)
Weight, g/mol:	456.067734
ΔH_f, kcal/mol:	-64.6
Dipole, Da:	6.47
IP(EA), eV:	-8.89(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(5-chloro-2-methylphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C)OC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations