Geometry & MOs

Info

ID:	268838
PubChem CID:	103601187
Reduced:	BrOSC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	204.082016
ΔH_f, kcal/mol:	-28.37
Dipole, Da:	3.4
IP(EA), eV:	-8.74(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(oxolan-2-ylmethylsulfanyl)butanoic acid

Drug info:

PubChemData

Smile

C1CC(OC1)CSCC2=CC=CC=C2Br

DOS

IR

Vibrations