Geometry & MOs

Info

ID:

113868

PubChem CID:

50462081

Reduced:

FO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

625.226739

ΔHf, kcal/mol:

-187.44

Dipole, Da:

5.58

IP(EA), eV:

 -8.78(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations