Geometry & MOs

Info

ID:	293216
PubChem CID:	117376738
Reduced:	NSO2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	249.08235
ΔH_f, kcal/mol:	-66.44
Dipole, Da:	4.44
IP(EA), eV:	-9.13(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-(thian-3-yloxy)benzonitrile

Drug info:

PubChemData

Smile

C1CC(CNC1)CC2=C3C(=CC=C2)OC(=O)S3

DOS

IR

Vibrations