Geometry & MOs

Info

ID:

83789

PubChem CID:

49861380

Reduced:

FN3O4C28H46 (1)

Stoich.:

AB3C4D28E46 (1)

Weight, g/mol:

561.298092

ΔHf, kcal/mol:

-249.99

Dipole, Da:

2.82

IP(EA), eV:

 -8.72(0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4R)-3-(piperidine-4-carbonylamino)azepan-4-yl] 4-(2-fluoro-6-hydroxy-3-methoxycyclohexanecarbonyl)cyclohexane-1-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

COC1CCC(C(C1F)C(=O)C2CCC(CC2)/C=C/[C@@H]3CCCNC[C@H]3NC(=O)C4CCNCC4)O

DOS

IR

Vibrations