Geometry & MOs

Info

ID:

315222

PubChem CID:

126625112

Reduced:

SN6O9C38H58 (1)

Stoich.:

AB6C9D38E58 (1)

Weight, g/mol:

536.466542

ΔHf, kcal/mol:

-335.2

Dipole, Da:

10.9

IP(EA), eV:

 -9.07(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(5S)-1-(4-tert-butylmorpholin-2-yl)-8-(4-hydroxypiperidin-1-yl)-2,5,8-trimethylnonan-5-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N(C)[C@H](C[C@H](C1=NC(=CS1)C(=O)N[C@@H](CC2=CC=C(C=C2)[N+](=O)[O-])C[C@@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)CCCCCNC

DOS

IR

Vibrations