Geometry & MOs

Info

ID:	84472
PubChem CID:	49866626
Reduced:	BN3O4C13H26 (1)
Stoich.:	AB3C4D13E26 (1)
Weight, g/mol:	666.145174
ΔH_f, kcal/mol:	-270.85
Dipole, Da:	3.54
IP(EA), eV:	-9.28(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-[3-[(1R)-1-hydroxyethyl]-4H-pyridin-1-yl]oxolan-2-yl]methyl hydrogen phosphate

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

B([C@@H]1CCCN1C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)N)(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

B([C@@H]1CCCN1C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)N)(O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):