Geometry & MOs

Info

ID:

110678

PubChem CID:

50335655

Reduced:

FO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-175.94

Dipole, Da:

7.92

IP(EA), eV:

 -8.79(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=C(C=C4)F)C

DOS

IR

Vibrations