Geometry & MOs

Info

ID:

111353

PubChem CID:

50362998

Reduced:

F3O4N5C31H38 (1)

Stoich.:

A3B4C5D31E38 (1)

Weight, g/mol:

575.310769

ΔHf, kcal/mol:

-317.47

Dipole, Da:

6.31

IP(EA), eV:

 -8.99(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-acetylanilino)-2-oxoethyl]-1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)N4CCCCC4

DOS

IR

Vibrations