Geometry & MOs

Info

ID:	280183
PubChem CID:	103847381
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	316.01326
ΔH_f, kcal/mol:	-65.57
Dipole, Da:	7.66
IP(EA), eV:	-8.52(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-bromophenoxy)ethylsulfanyl]-2-methyloxolane

Drug info:

PubChemData

Smile

CC1C(CCO1)SCC(=O)C2=CN(C=C2)C

DOS

IR

Vibrations