Geometry & MOs

Info

ID:

111420

PubChem CID:

50366145

Reduced:

ClN5O5C36H48 (1)

Stoich.:

AB5C5D36E48 (1)

Weight, g/mol:

643.409755

ΔHf, kcal/mol:

-218.48

Dipole, Da:

11.23

IP(EA), eV:

 -8.7(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-ethyl-6-methylphenyl)-1-[1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-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)OC)C

DOS

IR

Vibrations