Geometry & MOs

Info

ID:

108870

PubChem CID:

50262315

Reduced:

ClO5N6C36H41 (1)

Stoich.:

AB5C6D36E41 (1)

Weight, g/mol:

639.242389

ΔHf, kcal/mol:

-164.49

Dipole, Da:

14.63

IP(EA), eV:

 -8.62(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-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=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C(=O)N(C)C)Cl

DOS

IR

Vibrations