Geometry & MOs

Info

ID:

111608

PubChem CID:

50374729

Reduced:

ClO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

700.431219

ΔHf, kcal/mol:

-239.22

Dipole, Da:

6.03

IP(EA), eV:

 -8.58(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4CCCCC4)Cl)C(=O)NC5CCCC5

DOS

IR

Vibrations