Geometry & MOs

Info

ID:

32236

PubChem CID:

6436055

Reduced:

S2N5O6C17H19 (1)

Stoich.:

A2B5C6D17E19 (1)

Weight, g/mol:

396.287574

ΔHf, kcal/mol:

-178.97

Dipole, Da:

4.29

IP(EA), eV:

 -9.04(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[2-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]ethoxy]acetate

Drug info:

PubChemData

Smile

CC/C=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O

DOS

IR

Vibrations