Geometry & MOs

Info

ID:

112041

PubChem CID:

50392895

Reduced:

ClO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

620.332233

ΔHf, kcal/mol:

-242.82

Dipole, Da:

7.17

IP(EA), eV:

 -8.8(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCCC4)C(=O)NC5CCCCC5

DOS

IR

Vibrations