Geometry & MOs

Info

ID:

116894

PubChem CID:

50579815

Reduced:

ClO5N6C38H49 (1)

Stoich.:

AB5C6D38E49 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-218.18

Dipole, Da:

8.06

IP(EA), eV:

 -8.89(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-[5-(dimethylcarbamoyl)-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC(=C(C=C5)Cl)C(=O)NC6CCCCC6

DOS

IR

Vibrations