Geometry & MOs

Info

ID:	311589
PubChem CID:	126594376
Reduced:	FPSN4O5C13H14 (1)
Stoich.:	ABCD4E5F13G14 (1)
Weight, g/mol:	658.148309
ΔH_f, kcal/mol:	-233.95
Dipole, Da:	2.75
IP(EA), eV:	-8.88(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[(2R,3S,4S,5R)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C#C[C@]1([C@H](C[C@@H](O1)N2C=C(C3=C(N=CN=C32)N)F)O)COP(=S)(O)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C#C[C@]1([C@H](C[C@@H](O1)N2C=C(C3=C(N=CN=C32)N)F)O)COP(=S)(O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):