Geometry & MOs

Info

ID:

437880

PubChem CID:

135227219

Reduced:

NO4C15H29 (1)

Stoich.:

AB4C15D29 (1)

Weight, g/mol:

589.409086

ΔHf, kcal/mol:

-212.35

Dipole, Da:

2.32

IP(EA), eV:

 -9.65(0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (6R,8S)-9-[(2S)-2-[[(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3,3-dimethylbutanoyl]-11,11-dimethyl-9-azadispiro[3.1.46.14]undecane-8-carboxylate

Drug info:

PubChemData

Smile

CCCCC(C)(C)OC(N[C@@]1(CC1CC)C(=O)OC)O

DOS

IR

Vibrations