Geometry & MOs

Info

ID:	18497
PubChem CID:	541749
Reduced:	NSO2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	299.098
ΔH_f, kcal/mol:	-24.7
Dipole, Da:	4.76
IP(EA), eV:	-8.37(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(methylamino)propoxy]thioxanthen-9-one

Drug info:

PubChemData

Smile

CNCCCOC1=CC=CC2=C1SC3=CC=CC=C3C2=O

DOS

IR

Vibrations