Geometry & MOs

Info

ID:

115066

PubChem CID:

50507255

Reduced:

ClF2O5N6C37H41 (1)

Stoich.:

AB2C5D6E37F41 (1)

Weight, g/mol:

736.295152

ΔHf, kcal/mol:

-261.36

Dipole, Da:

3.28

IP(EA), eV:

 -9.16(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC(=C(C=C5)Cl)C(=O)N(C)C

DOS

IR

Vibrations