Geometry & MOs

Info

ID:

109888

PubChem CID:

50300658

Reduced:

F2O3N4C28H34 (1)

Stoich.:

A2B3C4D28E34 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-200.68

Dipole, Da:

4.88

IP(EA), eV:

 -8.78(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)F)F)C

DOS

IR

Vibrations