Geometry & MOs

Info

ID:	431543
PubChem CID:	135171631
Reduced:	NO3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	557.297836
ΔH_f, kcal/mol:	-146.44
Dipole, Da:	4.83
IP(EA), eV:	-10.24(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (3S)-3-[[(2R)-1-[(6-amino-5-methylpyrimidin-4-yl)-ethenylamino]propan-2-yl]oxymethyl-[(2-methyl-1-oxo-1-propan-2-yloxypropan-2-yl)amino]phosphoryl]oxybutanoate

Drug info:

PubChemData

Smile

CCC(=O)CC1CCC(N1)C(=O)O

DOS

IR

Vibrations