Geometry & MOs

Info

ID:	309593
PubChem CID:	126549920
Reduced:	OF2N2H26C27 (1)
Stoich.:	AB2C2D26E27 (1)
Weight, g/mol:	462.178055
ΔH_f, kcal/mol:	-65.7
Dipole, Da:	4.13
IP(EA), eV:	-8.83(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1N2C(=O)CC3=CC=CC=C32)CC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

DOS

IR

Vibrations