Geometry & MOs

Info

ID:

427357

PubChem CID:

135157577

Reduced:

N5H17C19 (1)

Stoich.:

A5B17C19 (1)

Weight, g/mol:

1292.753978

ΔHf, kcal/mol:

97.75

Dipole, Da:

7.57

IP(EA), eV:

-8.31(-0.63)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(2S,5S)-3-acetamido-4-[[(2R,5S)-5-[[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2,3,4,5,6-pentamethyl-3-[[(2S,5S)-3,4,5-trihydroxy-2,3,4,5,6,6-hexamethyloxan-2-yl]methoxymethyl]oxan-2-yl]methoxymethyl]-3,4-dihydroxy-2,3,4,5,6,6-hexamethyloxan-2-yl]methoxymethyl]-5-hydroxy-6-(hydroxymethyl)-2,3,4,5,6-pentamethyloxan-2-yl] 5-[(6aS)-3a-(methylideneamino)-2-oxo-3,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoate

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C)C3=C(C=C2)C4=C(C=C3)C5=C(C=C4)N=C(N5C)N

DOS

IR

Vibrations