Geometry & MOs

Info

ID:	433914
PubChem CID:	135174061
Reduced:	FPN3O8C27H33 (1)
Stoich.:	ABC3D8E27F33 (1)
Weight, g/mol:	391.060104
ΔH_f, kcal/mol:	-412.05
Dipole, Da:	9.41
IP(EA), eV:	-9.21(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R)-2-[[chloro(phenoxy)phosphoryl]methoxy]but-3-ynyl]purin-6-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COCC(C)NP(=O)(OC[C@@H]2[C@H]([C@@]([C@@H](O2)N3C=CC(=O)NC3=O)(C)F)O)OC4=CC=CC=C4

DOS

IR

Vibrations