Geometry & MOs

Info

ID:	295073
PubChem CID:	117515291
Reduced:	ClSO4C16H17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	340.089993
ΔH_f, kcal/mol:	-121.43
Dipole, Da:	6.22
IP(EA), eV:	-8.8(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)CS(=O)(=O)Cl

DOS

IR

Vibrations