Geometry & MOs

Info

ID:	23641
PubChem CID:	605302
Reduced:	SN2O2C7H14 (1)
Stoich.:	AB2C2D7E14 (1)
Weight, g/mol:	190.077599
ΔH_f, kcal/mol:	-52.29
Dipole, Da:	3.14
IP(EA), eV:	-9.22(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,9-dioxa-4,6-diazacycloundec-5-ene-5-thiol

Drug info:

PubChemData

Smile

C1COCCOCCN=C(N1)S

DOS

IR

Vibrations