Geometry & MOs

Info

ID:

106734

PubChem CID:

50174617

Reduced:

FO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-277.05

Dipole, Da:

9.34

IP(EA), eV:

 -8.68(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(2-methylpropanoylamino)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)F)NC(=O)C(C)C)C

DOS

IR

Vibrations