Geometry & MOs

Info

ID:	201878
PubChem CID:	79595712
Reduced:	BrSO2C9H13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	262.0027
ΔH_f, kcal/mol:	-65.62
Dipole, Da:	0.4
IP(EA), eV:	-9.1(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromothiophen-3-yl)-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(COC)(C1=CSC=C1Br)O

DOS

IR

Vibrations