Geometry & MOs

Info

ID:

111331

PubChem CID:

50362275

Reduced:

F2O5N6C40H48 (1)

Stoich.:

A2B5C6D40E48 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-279.27

Dipole, Da:

4.51

IP(EA), eV:

 -8.64(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC=C5F)F)C)C

DOS

IR

Vibrations