Geometry & MOs

Info

ID:	202434
PubChem CID:	79672025
Reduced:	SN2O4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	265.134779
ΔH_f, kcal/mol:	-116.45
Dipole, Da:	3.27
IP(EA), eV:	-9.58(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2,3-dihydroxypropylsulfanyl)-2-methyl-2-(methylamino)pentanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)S(=O)(=O)CCN(CCO)CCO

DOS

IR

Vibrations