Geometry & MOs

Info

ID:	293214
PubChem CID:	117376721
Reduced:	NSO2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	249.08235
ΔH_f, kcal/mol:	-48.12
Dipole, Da:	5.12
IP(EA), eV:	-8.74(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(isocyanatomethyl)phenoxy]thiane

Drug info:

PubChemData

Smile

C1CSCCC1OC2=CC=CC=C2CN=C=O

DOS

IR

Vibrations