Geometry & MOs

Info

ID:	449081
PubChem CID:	135295895
Reduced:	PO7N9C24H38 (1)
Stoich.:	AB7C9D24E38 (1)
Weight, g/mol:	493.139417
ΔH_f, kcal/mol:	-313.24
Dipole, Da:	7.46
IP(EA), eV:	-9.33(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-[(2R,6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]purin-6-yl]benzamide

Drug info:

PubChemData

Smile

CC[C@@H]1CN(CC(O1)N2C=CC(=NC2=O)N)[P@](=O)(N(C)C)OC[C@@H]3CN(CC(O3)N4C=CC(=NC4=O)NC(=O)C)C

DOS

IR

Vibrations