Geometry & MOs

Info

ID:	149892
PubChem CID:	53789573
Reduced:	SN7O9H21C25 (2)
Stoich.:	AB7C9D21E25 (2)
Weight, g/mol:	178.049075
ΔH_f, kcal/mol:	-465.5
Dipole, Da:	6.77
IP(EA), eV:	-9.14(-2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethenyl-3,7-dihydropurine-2,6-dione

Drug info:

Smile

CC1CN(C(CN1C2=NC(=O)N=C(N2)NC3=CC(=CC4=C3C(=O)C(=NNC5=CC(=CC(=C5)C(=O)O)C(=O)O)C(=C4)C)S(=O)(=O)O)C)C6=NC(=O)N=C(N6)NC7=CC(=CC8=C7C(=O)C(=NNC9=CC(=CC(=C9)C(=O)O)C(=O)O)C(=C8)C)S(=O)(=O)O

DOS

IR

Vibrations