Geometry & MOs

Info

ID:	309245
PubChem CID:	126540959
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	486.204925
ΔH_f, kcal/mol:	-109.91
Dipole, Da:	3.38
IP(EA), eV:	-8.81(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[6-amino-8-(1,3-benzodioxol-5-ylsulfanyl)purin-9-yl]propyl]-N-propan-2-ylcarbamate

Drug info:

PubChemData

Smile

CC(=O)CCCCN1C(N(C2=C(C1=O)N(C=N2)C)C)O

DOS

IR

Vibrations