Geometry & MOs

Info

ID:	339163
PubChem CID:	127260542
Reduced:	O3N6C15H22 (1)
Stoich.:	A3B6C15D22 (1)
Weight, g/mol:	381.064977
ΔH_f, kcal/mol:	-58.02
Dipole, Da:	6.18
IP(EA), eV:	-8.65(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-difluoromethyl]phosphonic acid

Drug info:

PubChemData

Smile

CCN(CC)/C=N/C1=C2C(=NC=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O

DOS

IR

Vibrations