Geometry & MOs

Info

ID:	434173
PubChem CID:	135174336
Reduced:	FP2S2O9N12C18H23 (1)
Stoich.:	AB2C2D9E12F18G23 (1)
Weight, g/mol:	743.123431
ΔH_f, kcal/mol:	-366.42
Dipole, Da:	9.87
IP(EA), eV:	-9.43(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S)-5-(6-aminopurin-9-yl)-3-[[5-[(2,5-diamino-4-oxo-1H-pyrimidin-6-yl)-(methylamino)amino]-3-fluorooxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-2-(hydroxymethyl)oxolan-2-yl]methoxy-sulfanylphosphinic acid

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

C1CC(OC1COP(=S)(O)O[C@H]2[C@@H](C(OC2COP(=S)(O)O)N3C4=NC=NC(=C4N=N3)N)F)N5C6=NC(=NC(=O)C6=NN5)N

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

C1CC(OC1COP(=S)(O)O[C@H]2[C@@H](C(OC2COP(=S)(O)O)N3C4=NC=NC(=C4N=N3)N)F)N5C6=NC(=NC(=O)C6=NN5)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):