Geometry & MOs

Info

ID:	426949
PubChem CID:	135154689
Reduced:	NO3C16H29 (1)
Stoich.:	AB3C16D29 (1)
Weight, g/mol:	531.27229
ΔH_f, kcal/mol:	-185.22
Dipole, Da:	3.99
IP(EA), eV:	-9.41(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-[[[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[(1R)-1-(4-methylphenyl)ethyl]amino]phosphoryl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)OCC2CCCC2

DOS

IR

Vibrations