Geometry & MOs

Info

ID:	183771
PubChem CID:	77068191
Reduced:	FN2O5C26H33 (1)
Stoich.:	AB2C5D26E33 (1)
Weight, g/mol:	331.936009
ΔH_f, kcal/mol:	-189.01
Dipole, Da:	4.0
IP(EA), eV:	-8.96(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-sulfanylidene-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

COCC1=COC2CC(CCC2C1=O)OCCCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

DOS

IR

Vibrations