Geometry & MOs

Info

ID:

106599

PubChem CID:

50170506

Reduced:

ClO5N6C39H45 (1)

Stoich.:

AB5C6D39E45 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-179.36

Dipole, Da:

4.42

IP(EA), eV:

 -8.31(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[3-[(3-fluorobenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)NC(=O)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations