Geometry & MOs

Info

ID:	82253
PubChem CID:	49855810
Reduced:	O2N5C28H29 (1)
Stoich.:	A2B5C28D29 (1)
Weight, g/mol:	385.11512
ΔH_f, kcal/mol:	19.76
Dipole, Da:	7.17
IP(EA), eV:	-8.43(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,3S,4R)-4-(6-aminopurin-9-yl)-1-cyclopropyl-2,3-dihydroxycyclopentyl]oxymethylphosphonic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(C=C2)CN(CC3CC3)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5)C(=O)N1C

DOS

IR

Vibrations