Geometry & MOs

Info

ID:	389043
PubChem CID:	134990979
Reduced:	BrSN3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	475.198456
ΔH_f, kcal/mol:	45.03
Dipole, Da:	4.8
IP(EA), eV:	-8.41(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]purin-6-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCCBr)C2=NSC3=CC=CC=C32

DOS

IR

Vibrations