Geometry & MOs

Info

ID:	208951
PubChem CID:	80607057
Reduced:	ClOSBr2N2H5C9 (1)
Stoich.:	ABCD2E2F5G9 (1)
Weight, g/mol:	265.099731
ΔH_f, kcal/mol:	51.28
Dipole, Da:	2.28
IP(EA), eV:	-9.53(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-2,6-dimethylpyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)Br)OCC2=NN=C(S2)Cl

DOS

IR

Vibrations