Geometry & MOs

Info

ID:	22547
PubChem CID:	597660
Reduced:	SN2O4C11H12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	268.051778
ΔH_f, kcal/mol:	-61.88
Dipole, Da:	0.93
IP(EA), eV:	-8.49(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4,5-trimethoxyphenyl)-1lambda4-thia-2,3-diazacyclopenta-1,5-dien-4-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)N2C(=O)C=S=N2

DOS

IR

Vibrations