Geometry & MOs

Info

ID:	338579
PubChem CID:	127259590
Reduced:	N5O7H21C24 (1)
Stoich.:	A5B7C21D24 (1)
Weight, g/mol:	435.211784
ΔH_f, kcal/mol:	-142.15
Dipole, Da:	2.77
IP(EA), eV:	-8.46(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopentyl-5-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]pentanoic 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

C1=CC=C(C=C1)C(=O)C2=C(C=CC=C2N3C=NC(=C4C3N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)C=O)O)O)N)C(=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

C1=CC=C(C=C1)C(=O)C2=C(C=CC=C2N3C=NC(=C4C3N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)C=O)O)O)N)C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):