Geometry & MOs

Info

ID:	283146
PubChem CID:	103960680
Reduced:	OS2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	212.087101
ΔH_f, kcal/mol:	4.45
Dipole, Da:	2.47
IP(EA), eV:	-8.16(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(2-hydroxyethylsulfanyl)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1SC2=CC=CS2)O

DOS

IR

Vibrations