Geometry & MOs

Info

ID:

220078

PubChem CID:

85165216

Reduced:

ClS4N7O7H20C21 (1)

Stoich.:

AB4C7D7E20F21 (1)

Weight, g/mol:

646.247285

ΔHf, kcal/mol:

-127.57

Dipole, Da:

7.69

IP(EA), eV:

 -9.05(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-acetyloxy-7-(acetyloxymethyl)-4-[[3,4-diacetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-7-hydroxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 2-methylbutanoate

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=C(SC(=N3)N)Cl)C(=O)O)SC4=C(C=NC=C4)CSCC(C(=O)O)N

DOS

IR

Vibrations