Geometry & MOs

Info

ID:	188105
PubChem CID:	77668182
Reduced:	ClSN5O6C25H28 (1)
Stoich.:	ABC5D6E25F28 (1)
Weight, g/mol:	515.228102
ΔH_f, kcal/mol:	-183.81
Dipole, Da:	5.9
IP(EA), eV:	-8.6(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-[6-[(5-ethenyl-2-phenylmethoxyphenyl)methylamino]purin-9-yl]-4-hydroxy-N-methyloxolane-2-carboxamide

Drug info:

PubChemData

Smile

CN1CN2CN(C(=O)C2=C1)C3CCN(CC3)C(=O)C(CS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)NC(=O)O

DOS

IR

Vibrations