Geometry & MOs

Info

ID:

49870

PubChem CID:

11534057

Reduced:

SO4N6C28H32 (1)

Stoich.:

AB4C6D28E32 (1)

Weight, g/mol:

548.298533

ΔHf, kcal/mol:

-73.75

Dipole, Da:

8.36

IP(EA), eV:

 -9.04(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,3S,4S,5R)-5-[4-(3,3-dimethyloxiran-2-yl)-3-[(Z)-2-methylbut-2-enoyl]oxybut-1-en-2-yl]-2,4-dihydroxy-2-methyl-3-[(Z)-2-methylbut-2-enoyl]oxycyclohexyl] (Z)-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)/C(=N\NC(=O)NC4=NC=CN4)/C1=O

DOS

IR

Vibrations