Geometry & MOs

Info

ID:	120772
PubChem CID:	50744005
Reduced:	ClON3H16C17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	419.047044
ΔH_f, kcal/mol:	51.98
Dipole, Da:	2.79
IP(EA), eV:	-8.53(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=NN=C(O1)C2=CC=CC=C2Cl)C3=CC=CC=C3

DOS

IR

Vibrations