Geometry & MOs

Info

ID:

448480

PubChem CID:

135291288

Reduced:

N11O13C65H109 (1)

Stoich.:

A11B13C65D109 (1)

Weight, g/mol:

581.392768

ΔHf, kcal/mol:

-300.83

Dipole, Da:

41.11

IP(EA), eV:

 -5.35(-3.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(4-hydroxy-3-methoxycyclohexyl)-2,4-dimethylpentan-3-yl] 1-[2-(2-hydroxy-3,5-dimethyl-6-propan-2-yloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N(C(C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)CC(C)C)C)C)C(C)C)CC2=CC=C(C=C2)O)C)C

DOS

IR

Vibrations