Geometry & MOs

Info

ID:	191082
PubChem CID:	78102491
Reduced:	N2O5H34C35 (1)
Stoich.:	A2B5C34D35 (1)
Weight, g/mol:	470.232477
ΔH_f, kcal/mol:	-110.32
Dipole, Da:	7.0
IP(EA), eV:	-8.11(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[1-[5-(6-aminopurin-9-yl)pentyl]triazol-4-yl]butyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=C(C=C3C(=C2)CCC4=CC(=C(C=C43)OC)OC)C(=O)NC(CC5=CNC6=CC=CC=C65)CO

DOS

IR

Vibrations