Geometry & MOs

Info

ID:	249198
PubChem CID:	103087663
Reduced:	NSO2C14H23 (1)
Stoich.:	ABC2D14E23 (1)
Weight, g/mol:	271.104228
ΔH_f, kcal/mol:	-68.33
Dipole, Da:	2.78
IP(EA), eV:	-7.89(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-fluoro-2-(4-methylsulfanylbutylamino)benzoate

Drug info:

PubChemData

Smile

COCCOC1=CC=C(C=C1)NCCCCSC

DOS

IR

Vibrations