Geometry & MOs

Info

ID:	426942
PubChem CID:	135154666
Reduced:	ClO2N4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	521.231568
ΔH_f, kcal/mol:	-20.24
Dipole, Da:	3.55
IP(EA), eV:	-8.74(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-[[1-(6-aminopurin-9-yl)propan-2-yloxymethyl-[(3-fluorophenyl)methylamino]phosphoryl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)Cl

DOS

IR

Vibrations