Geometry & MOs

Info

ID:

111607

PubChem CID:

50374675

Reduced:

N2O2C13H16 (3)

Stoich.:

A2B2C13D16 (3)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-215.45

Dipole, Da:

7.11

IP(EA), eV:

 -8.75(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCOCC4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations