Geometry & MOs

Info

ID:

116053

PubChem CID:

50544889

Reduced:

ClFO5N6C39H40 (1)

Stoich.:

ABC5D6E39F40 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-198.63

Dipole, Da:

5.76

IP(EA), eV:

 -8.74(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4F)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations