Geometry & MOs

Info

ID:	242541
PubChem CID:	97301929
Reduced:	SCl2O5H8C9 (1)
Stoich.:	AB2C5D8E9 (1)
Weight, g/mol:	199.0667
ΔH_f, kcal/mol:	-199.01
Dipole, Da:	5.22
IP(EA), eV:	-9.65(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-methoxy-2-[(S)-methylsulfinyl]ethyl]pyridine

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC(=C(C=C1O)Cl)Cl)S(=O)(=O)O

DOS

IR

Vibrations