Geometry & MOs

Info

ID:	21719
PubChem CID:	589625
Reduced:	SN2O4C11H22 (1)
Stoich.:	AB2C4D11E22 (1)
Weight, g/mol:	278.130028
ΔH_f, kcal/mol:	-152.48
Dipole, Da:	2.93
IP(EA), eV:	-9.6(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,9,12,15-tetraoxa-4,6-diazacycloheptadec-5-ene-5-thiol

Drug info:

PubChemData

Smile

C1COCCOCCOCCOCCN=C(N1)S

DOS

IR

Vibrations