Geometry & MOs

Info

ID:

111008

PubChem CID:

50348417

Reduced:

FO5N6C40H51 (1)

Stoich.:

AB5C6D40E51 (1)

Weight, g/mol:

561.256289

ΔHf, kcal/mol:

-241.56

Dipole, Da:

2.46

IP(EA), eV:

 -8.7(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NCC(C)C)NC(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations