Geometry & MOs

Info

ID:

108582

PubChem CID:

50250593

Reduced:

F3O5N6C39H39 (1)

Stoich.:

A3B5C6D39E39 (1)

Weight, g/mol:

654.352969

ΔHf, kcal/mol:

-281.49

Dipole, Da:

4.95

IP(EA), eV:

 -8.79(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)F)C)F

DOS

IR

Vibrations