Geometry & MOs

Info

ID:

442426

PubChem CID:

135252027

Reduced:

O8H42C49 (1)

Stoich.:

A8B42C49 (1)

Weight, g/mol:

285.121237

ΔHf, kcal/mol:

-153.04

Dipole, Da:

1.98

IP(EA), eV:

 -8.54(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1-[(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=C)C(O)OC1=CC2=C(C=C1)C(=C(C=C2)OC(=O)C(=C)C)C(C3=CC=C(C=C3)C4=CC=CC=C4)C5=C(C=CC6=C5C=CC(=C6)OC(=O)C(=C)C)OC(=O)C(=C)C

DOS

IR

Vibrations