Geometry & MOs

Info

ID:	434016
PubChem CID:	135174169
Reduced:	PO4N6C26H33 (1)
Stoich.:	AB4C6D26E33 (1)
Weight, g/mol:	413.125291
ΔH_f, kcal/mol:	-126.19
Dipole, Da:	4.65
IP(EA), eV:	-9.1(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-naphthalen-1-yloxyphosphinic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC[C@H](C)NP(=O)(CO[C@H](C)CN2C=NC3=C(N=CN=C32)N)OC4=CC=CC=C4

DOS

IR

Vibrations