Geometry & MOs

Info

ID:	328838
PubChem CID:	126728342
Reduced:	F3N4O5C30H31 (1)
Stoich.:	A3B4C5D30E31 (1)
Weight, g/mol:	320.123303
ΔH_f, kcal/mol:	-276.29
Dipole, Da:	6.46
IP(EA), eV:	-8.15(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-2-[6-amino-2-(3-aminoprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1(C=CC2=C(C3=C(C=C(C=C3)N(C)C)OC2=C1)C4=C(C=C(C=C4)C(=O)NCCNC(=O)C(F)(F)F)C(=O)O)N(C)C

DOS

IR

Vibrations