Geometry & MOs

Info

ID:	266007
PubChem CID:	103557565
Reduced:	BrSO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	226.102751
ΔH_f, kcal/mol:	-58.68
Dipole, Da:	3.42
IP(EA), eV:	-9.46(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol

Drug info:

PubChemData

Smile

COC1(CCC1)CC(C2=CC=C(S2)Br)O

DOS

IR

Vibrations