Geometry & MOs

Info

ID:	415717
PubChem CID:	135088717
Reduced:	SN3O5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	296.153621
ΔH_f, kcal/mol:	-181.95
Dipole, Da:	3.06
IP(EA), eV:	-9.02(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations