Geometry & MOs

Info

ID:	206999
PubChem CID:	80330594
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	213.08235
ΔH_f, kcal/mol:	-29.8
Dipole, Da:	5.5
IP(EA), eV:	-9.41(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-(2-methoxyethylsulfanyl)pyridin-4-yl]ethanol

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CCCNCC2=CC(=CS2)C(=O)O

DOS

IR

Vibrations