Geometry & MOs

Info

ID:	263927
PubChem CID:	103407882
Reduced:	ClSO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	260.063779
ΔH_f, kcal/mol:	-36.3
Dipole, Da:	4.14
IP(EA), eV:	-9.2(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethanol

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(=O)CC2=COC=C2

DOS

IR

Vibrations