Geometry & MOs

Info

ID:

93274

PubChem CID:

49992881

Reduced:

N3O3C20H28 (2)

Stoich.:

A3B3C20D28 (2)

Weight, g/mol:

676.394833

ΔHf, kcal/mol:

-265.84

Dipole, Da:

5.28

IP(EA), eV:

 -8.86(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[2-methoxy-5-(propylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations