Geometry & MOs

Info

ID:	249562
PubChem CID:	103090475
Reduced:	NSO2C13H25 (1)
Stoich.:	ABC2D13E25 (1)
Weight, g/mol:	247.124215
ΔH_f, kcal/mol:	-120.65
Dipole, Da:	5.78
IP(EA), eV:	-8.54(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(4-methylsulfanylbutyl)amino]oxolane-3-carboxylic acid

Drug info:

PubChemData

Smile

CSCCCCNCC1CCCCC1C(=O)O

DOS

IR

Vibrations