Geometry & MOs

Info

ID:	192637
PubChem CID:	78295148
Reduced:	ON5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	404.150484
ΔH_f, kcal/mol:	-24.01
Dipole, Da:	4.5
IP(EA), eV:	-8.78(0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-5H-purin-7-ium-7-yl)acetamide

Drug info:

PubChemData

Smile

CCCC1CC(=O)NC(N1)N=C(N)NC2=CC=CC(=C2)C

DOS

IR

Vibrations