Geometry & MOs

Info

ID:	208953
PubChem CID:	80607827
Reduced:	OSN5C9H11 (1)
Stoich.:	ABC5D9E11 (1)
Weight, g/mol:	295.110296
ΔH_f, kcal/mol:	15.77
Dipole, Da:	3.85
IP(EA), eV:	-8.96(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=N1)C)CC2=NN=C(S2)N

DOS

IR

Vibrations