Geometry & MOs

Info

ID:

215208

PubChem CID:

85084367

Reduced:

NO13C39H65 (1)

Stoich.:

AB13C39D65 (1)

Weight, g/mol:

755.392785

ΔHf, kcal/mol:

-600.09

Dipole, Da:

5.8

IP(EA), eV:

 -9.38(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[1-[(1-cyclohexyl-3-hydroxy-4-pyridin-2-yloxybutan-2-yl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C(C)[N+](=O)[O-])O)C)C)C)C)O)O

DOS

IR

Vibrations