Geometry & MOs

Info

ID:	193150
PubChem CID:	78349915
Reduced:	O6C23H36 (1)
Stoich.:	A6B23C36 (1)
Weight, g/mol:	661.069663
ΔH_f, kcal/mol:	-305.47
Dipole, Da:	4.16
IP(EA), eV:	-9.0(0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2,5-dihydrofuran-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-yl]pyridin-1-ium-3-carboxylic 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

CCC(C)C(=O)OC1CC=CC2=CCC(C(C12)CCC(CC(CC(=O)O)O)O)C

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

CCC(C)C(=O)OC1CC=CC2=CCC(C(C12)CCC(CC(CC(=O)O)O)O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):