Geometry & MOs

Info

ID:	438373
PubChem CID:	135228109
Reduced:	BrSO4C9H17 (1)
Stoich.:	ABC4D9E17 (1)
Weight, g/mol:	236.10823
ΔH_f, kcal/mol:	-180.33
Dipole, Da:	5.31
IP(EA), eV:	-10.57(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 1-(3-hydroxypropyl)cyclopropane-1-sulfonate

Drug info:

PubChemData

Smile

CC(C)(O)OCCCC1(CC1)S(=O)(=O)Br

DOS

IR

Vibrations