Geometry & MOs

Info

ID:	36444
PubChem CID:	8006971
Reduced:	ClNO3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	406.136257
ΔH_f, kcal/mol:	-104.89
Dipole, Da:	4.75
IP(EA), eV:	-9.23(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenyl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C#N)OC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

DOS

IR

Vibrations