Geometry & MOs

Info

ID:

111616

PubChem CID:

50375419

Reduced:

N5O5C36H49 (1)

Stoich.:

A5B5C36D49 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-216.72

Dipole, Da:

3.44

IP(EA), eV:

 -8.43(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5CCCCC5

DOS

IR

Vibrations