Geometry & MOs

Info

ID:

106723

PubChem CID:

50173889

Reduced:

ClN6O6C38H51 (1)

Stoich.:

AB6C6D38E51 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-268.2

Dipole, Da:

9.8

IP(EA), eV:

 -8.8(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(diethylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)C(=O)N5CCOCC5)Cl)C

DOS

IR

Vibrations