Geometry & MOs

Info

ID:	202428
PubChem CID:	79671508
Reduced:	SF2O3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	227.098
ΔH_f, kcal/mol:	-203.47
Dipole, Da:	3.86
IP(EA), eV:	-9.26(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(methylaminomethyl)phenyl]sulfanylpropane-1,2-diol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)C(=O)CSCC(CO)O

DOS

IR

Vibrations