Geometry & MOs

Info

ID:

113047

PubChem CID:

50429857

Reduced:

F3O5N6C39H39 (1)

Stoich.:

A3B5C6D39E39 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-272.5

Dipole, Da:

6.78

IP(EA), eV:

 -8.99(-0.76)

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-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations