Geometry & MOs

Info

ID:	287320
PubChem CID:	104234877
Reduced:	FNSO3C12H18 (1)
Stoich.:	ABCD3E12F18 (1)
Weight, g/mol:	265.122655
ΔH_f, kcal/mol:	-161.61
Dipole, Da:	4.23
IP(EA), eV:	-9.05(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-N-(2-cyanoethyl)acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)OCCCS(=O)(=O)C)F)N

DOS

IR

Vibrations