Geometry & MOs

Info

ID:

111524

PubChem CID:

50371397

Reduced:

NOC6H8 (6)

Stoich.:

ABC6D8 (6)

Weight, g/mol:

658.384269

ΔHf, kcal/mol:

-242.52

Dipole, Da:

8.08

IP(EA), eV:

 -9.13(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[4-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(=O)N4CCOCC4)C(=O)NC5CCCCC5

DOS

IR

Vibrations