Geometry & MOs

Info

ID:	293217
PubChem CID:	117376747
Reduced:	NSO2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	249.08235
ΔH_f, kcal/mol:	-27.66
Dipole, Da:	4.57
IP(EA), eV:	-8.54(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-isocyanatocyclobutyl)-2-methoxy-1-methylsulfanylbenzene

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C#N)OC2CCCSC2

DOS

IR

Vibrations