Geometry & MOs

Info

ID:	146946
PubChem CID:	53775893
Reduced:	ClSN3O3C16H22 (1)
Stoich.:	ABC3D3E16F22 (1)
Weight, g/mol:	614.079695
ΔH_f, kcal/mol:	-110.16
Dipole, Da:	6.91
IP(EA), eV:	-8.38(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(6-aminopurin-9-yl)methyl]-1,3-oxathiolan-2-yl]-hydroxyphosphinate;[5-[(6-aminopurin-9-yl)methyl]-1,3-oxathiolan-2-yl]-methyl-oxophosphanium

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@@H]1[C@H]([C@H]([C@@H](O1)N2C3=CC(=C(C=C3N=C2NC(C)C)Cl)SC)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@@H]1[C@H]([C@H]([C@@H](O1)N2C3=CC(=C(C=C3N=C2NC(C)C)Cl)SC)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):