Geometry & MOs

Info

ID:

105446

PubChem CID:

50107515

Reduced:

N3O3C15H20 (2)

Stoich.:

A3B3C15D20 (2)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-242.26

Dipole, Da:

5.8

IP(EA), eV:

 -8.28(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)OC)NC(=O)C(C)C

DOS

IR

Vibrations