Geometry & MOs

Info

ID:

443406

PubChem CID:

135258896

Reduced:

N4O11C28H36 (1)

Stoich.:

A4B11C28D36 (1)

Weight, g/mol:

464.154328

ΔHf, kcal/mol:

-458.17

Dipole, Da:

3.69

IP(EA), eV:

 -9.48(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-benzyl 4-O-[[5-(4-carbamoyl-5-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl] (2S)-2-aminobutanedioate

Drug info:

PubChemData

Smile

CC1(OC2C(OC(C2O1)N3C=NC(=C3O)C(=O)N)COC(=O)C[C@@H](C(=O)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations