Geometry & MOs

Info

ID:

108625

PubChem CID:

50251983

Reduced:

ClF2O5N6C38H43 (1)

Stoich.:

AB2C5D6E38F43 (1)

Weight, g/mol:

750.310803

ΔHf, kcal/mol:

-274.56

Dipole, Da:

3.65

IP(EA), eV:

 -8.96(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCCC5

DOS

IR

Vibrations