Geometry & MOs

Info

ID:	426993
PubChem CID:	135154922
Reduced:	ON6C16H18 (1)
Stoich.:	AB6C16D18 (1)
Weight, g/mol:	590.261785
ΔH_f, kcal/mol:	68.53
Dipole, Da:	4.57
IP(EA), eV:	-8.38(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[1-(2-methylpropanoyloxy)propan-2-ylamino]phosphoryl]oxymethyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=CC(=C(C=C2)OC)N3C=CC=N3)NC

DOS

IR

Vibrations