Geometry & MOs

Info

ID:	375714
PubChem CID:	134220915
Reduced:	PSN5O8C20H30 (1)
Stoich.:	ABC5D8E20F30 (1)
Weight, g/mol:	471.1519
ΔH_f, kcal/mol:	-353.89
Dipole, Da:	3.96
IP(EA), eV:	-8.91(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-[[(2R,4aR,6R,7S,7aS)-6-(2-amino-6-methoxypurin-9-yl)-7-methyl-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]butanoate

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

CCOC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)OCCSC(=O)C(C)(C)CO)C)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

CCOC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)OCCSC(=O)C(C)(C)CO)C)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):