Geometry & MOs

Info

ID:

118667

PubChem CID:

50653104

Reduced:

ClN6O6C40H53 (1)

Stoich.:

AB6C6D40E53 (1)

Weight, g/mol:

664.257624

ΔHf, kcal/mol:

-256.45

Dipole, Da:

10.5

IP(EA), eV:

 -8.23(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-benzamido-4-fluoroanilino)-2-oxoethyl]-1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)OC)NC(=O)C6CCCCC6

DOS

IR

Vibrations