Geometry & MOs

Info

ID:

90219

PubChem CID:

49967755

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

696.363533

ΔHf, kcal/mol:

-225.45

Dipole, Da:

6.28

IP(EA), eV:

 -8.8(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(3-methoxybenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations