Geometry & MOs

Info

ID:

106228

PubChem CID:

50153619

Reduced:

FO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

686.298346

ΔHf, kcal/mol:

-213.61

Dipole, Da:

7.08

IP(EA), eV:

 -8.91(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(3-chlorobenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=CC=C4)NC(=O)C5=CC=C(C=C5)F)C

DOS

IR

Vibrations