Geometry & MOs

Info

ID:	434312
PubChem CID:	135174674
Reduced:	ClNPO3C17H21 (1)
Stoich.:	ABCD3E17F21 (1)
Weight, g/mol:	389.125291
ΔH_f, kcal/mol:	-158.04
Dipole, Da:	6.68
IP(EA), eV:	-9.31(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(6-aminopurin-9-yl)but-3-en-2-yl]oxymethyl-(3-methylphenoxy)phosphinic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC[C@@H](C)NP(=O)(OC2=CC=CC=C2)Cl

DOS

IR

Vibrations