Geometry & MOs

Info

ID:

175815

PubChem CID:

75951776

Reduced:

F3N4O4C24H31 (1)

Stoich.:

A3B4C4D24E31 (1)

Weight, g/mol:

560.201332

ΔHf, kcal/mol:

-315.76

Dipole, Da:

8.74

IP(EA), eV:

 -9.42(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[1-hydroxy-5-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-5-oxopentan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)N(CCN1C(=O)NC2=CC=C(C=C2)C(F)(F)F)CCCC(=O)N3CCC4(CC4)C(C3)O

DOS

IR

Vibrations