Geometry & MOs

Info

ID:	438371
PubChem CID:	135228107
Reduced:	BrOSC10H19 (1)
Stoich.:	ABCD10E19 (1)
Weight, g/mol:	238.087495
ΔH_f, kcal/mol:	-74.1
Dipole, Da:	1.93
IP(EA), eV:	-9.05(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-hydroxypropan-2-yloxy)propyl]cyclopropane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC(C)(CCCCC1(CC1)SBr)O

DOS

IR

Vibrations