Geometry & MOs

Info

ID:	131628
PubChem CID:	51236840
Reduced:	NSC3H3 (4)
Stoich.:	ABC3D3 (4)
Weight, g/mol:	367.059524
ΔH_f, kcal/mol:	117.84
Dipole, Da:	3.14
IP(EA), eV:	-8.51(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCNC1=NN=C(S1)SCC2=CSC(=N2)C3=CC=CS3

DOS

IR

Vibrations