Geometry & MOs

Info

ID:	426919
PubChem CID:	135154549
Reduced:	N2O2C9H11 (2)
Stoich.:	A2B2C9D11 (2)
Weight, g/mol:	547.267204
ΔH_f, kcal/mol:	-111.89
Dipole, Da:	5.68
IP(EA), eV:	-8.81(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-[[1-(6-aminopurin-9-yl)propan-2-yloxymethyl-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]phosphoryl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations