Geometry & MOs

Info

ID:

111424

PubChem CID:

50366149

Reduced:

Cl2O4N5C35H45 (1)

Stoich.:

A2B4C5D35E45 (1)

Weight, g/mol:

654.293261

ΔHf, kcal/mol:

-190.57

Dipole, Da:

5.07

IP(EA), eV:

 -8.74(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(2-methylbutanoylamino)anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C(=CC=C5)Cl)Cl)C

DOS

IR

Vibrations