Geometry & MOs

Info

ID:

116093

PubChem CID:

50546363

Reduced:

BrClO5N6C33H42 (1)

Stoich.:

ABC5D6E33F42 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-202.29

Dipole, Da:

11.1

IP(EA), eV:

 -8.98(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC(=C(C=C1)Br)C(=O)NC)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCCC4

DOS

IR

Vibrations