Geometry & MOs

Info

ID:	434289
PubChem CID:	135174587
Reduced:	F2P2S2O10N11C18H23 (1)
Stoich.:	A2B2C2D10E11F18G23 (1)
Weight, g/mol:	711.065996
ΔH_f, kcal/mol:	-441.55
Dipole, Da:	10.22
IP(EA), eV:	-9.74(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-[[(3S)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-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

CC(N1C2=NC=NC(=O)C2=NN1)OC(COP(=O)(O)S)[C@H](OP(=S)(O)OCC3[C@H](CC(O3)N4C5=NC(=NC(=O)C5=NN4)N)F)F

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

CC(N1C2=NC=NC(=O)C2=NN1)OC(COP(=O)(O)S)[C@H](OP(=S)(O)OCC3[C@H](CC(O3)N4C5=NC(=NC(=O)C5=NN4)N)F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):