Geometry & MOs

Info

ID:	199264
PubChem CID:	79224483
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	268.068864
ΔH_f, kcal/mol:	-60.13
Dipole, Da:	2.99
IP(EA), eV:	-8.59(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxolane

Drug info:

PubChemData

Smile

C1C(SC2=CC=CC=C21)CN3CC(=O)NCC3=O

DOS

IR

Vibrations