Geometry & MOs

Info

ID:

111778

PubChem CID:

50381054

Reduced:

O4N5C37H51 (1)

Stoich.:

A4B5C37D51 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-189.05

Dipole, Da:

8.64

IP(EA), eV:

 -8.79(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5CCCCC5C)C

DOS

IR

Vibrations