Geometry & MOs

Info

ID:	187986
PubChem CID:	77650823
Reduced:	SN4O5C17H28 (1)
Stoich.:	AB4C5D17E28 (1)
Weight, g/mol:	854.342398
ΔH_f, kcal/mol:	-146.81
Dipole, Da:	6.5
IP(EA), eV:	-10.05(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[3-fluoro-2-[3-[[9-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]pyrrolidin-1-yl]phenyl]methanone

Drug info:

PubChemData

Smile

CCC(C(=O)C1=NC(=NO1)C(C)(C)C)NC(=O)C(CS(=O)(=O)CC2CC2)N

DOS

IR

Vibrations