Geometry & MOs

Info

ID:	220012
PubChem CID:	85165142
Reduced:	ClSN3O7C31H38 (1)
Stoich.:	ABC3D7E31F38 (1)
Weight, g/mol:	632.143206
ΔH_f, kcal/mol:	-184.1
Dipole, Da:	7.91
IP(EA), eV:	-9.22(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(6-fluoropurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] bis[2-(4-nitrophenyl)ethyl] phosphate

Drug info:

PubChemData

Smile

CS(=O)(=O)OC(CCCCl)C(C(C(C(CN=[N+]=[N-])OCC1=CC=CC=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O

DOS

IR

Vibrations