Geometry & MOs

Info

ID:	249433
PubChem CID:	103089402
Reduced:	OSN5C8H17 (1)
Stoich.:	ABC5D8E17 (1)
Weight, g/mol:	299.135528
ΔH_f, kcal/mol:	15.99
Dipole, Da:	2.82
IP(EA), eV:	-8.58(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-fluoro-5-methylanilino)-5-methylsulfanylpentanoate

Drug info:

PubChemData

Smile

CSCCCC(C(=O)N)NCCN=[N+]=[N-]

DOS

IR

Vibrations