Geometry & MOs

Info

ID:

110592

PubChem CID:

50331755

Reduced:

O4N5C36H49 (1)

Stoich.:

A4B5C36D49 (1)

Weight, g/mol:

589.17

ΔHf, kcal/mol:

-177.28

Dipole, Da:

7.55

IP(EA), eV:

 -8.71(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=CC(=C2NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCCC5)C

DOS

IR

Vibrations