Geometry & MOs

Info

ID:

84879

PubChem CID:

49870546

Reduced:

FSN5O11C37H46 (1)

Stoich.:

ABC5D11E37F46 (1)

Weight, g/mol:

443.267173

ΔHf, kcal/mol:

-435.95

Dipole, Da:

6.65

IP(EA), eV:

 -9.71(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1,3-dihydroxypropan-2-yl)-7-[(1R)-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-2-en-1-yl]heptanamide

Drug info:

PubChemData

Smile

C/C=C/C=C/C(=O)OC[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)OC(=O)N4CC5=C(C4)C(=CC=C5)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations