Geometry & MOs

Info

ID:	449078
PubChem CID:	135295877
Reduced:	ClPN4O5C12H20 (1)
Stoich.:	ABC4D5E12F20 (1)
Weight, g/mol:	475.149982
ΔH_f, kcal/mol:	-274.57
Dipole, Da:	7.46
IP(EA), eV:	-9.33(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CN1C[C@H](OC(C1)N2C=CC(=O)NC2=O)CO[P@@](=O)(N(C)C)Cl

DOS

IR

Vibrations