Geometry & MOs

Info

ID:	192661
PubChem CID:	78297699
Reduced:	O2N4C13H18 (4)
Stoich.:	A2B4C13D18 (4)
Weight, g/mol:	267.078996
ΔH_f, kcal/mol:	-280.31
Dipole, Da:	6.05
IP(EA), eV:	-8.53(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-6-sulfanylidene-5H-purin-9-yl)propan-2-yl acetate

Drug info:

Smile

CC(C)C(C(=O)N)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC3=CC=CC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)N

DOS

IR

Vibrations