Geometry & MOs

Info

ID:	160008
PubChem CID:	57304375
Reduced:	SN2Cl3O5C12H15 (1)
Stoich.:	AB2C3D5E12F15 (1)
Weight, g/mol:	507.186632
ΔH_f, kcal/mol:	-186.21
Dipole, Da:	5.11
IP(EA), eV:	-9.29(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-N,2-N-diphenyl-6H-purine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

COC(C1=C(N2[C@H]([C@@H](C2=O)N)SC1)C(=O)OCC(Cl)(Cl)Cl)OC

DOS

IR

Vibrations