Geometry & MOs

Info

ID:

220054

PubChem CID:

85165190

Reduced:

F3N5O10C26H42 (1)

Stoich.:

A3B5C10D26E42 (1)

Weight, g/mol:

641.332884

ΔHf, kcal/mol:

-659.26

Dipole, Da:

3.46

IP(EA), eV:

 -10.1(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3-[2-(heptanoylamino)ethyl]-3,6-dihydroxy-10-(3-hydroxycyclohexyl)deca-1,7,9-trien-4-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(C(=O)NC(C)C(=O)OC)NC(=O)C(CCCCNC(=O)C(F)(F)F)NC(=O)CCC(C(=O)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations