Geometry & MOs

Info

ID:

119332

PubChem CID:

50678687

Reduced:

ClFN6O6C39H46 (1)

Stoich.:

ABC6D6E39F46 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-273.83

Dipole, Da:

9.86

IP(EA), eV:

 -8.91(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-carbamoyl-6-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)OC)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)Cl

DOS

IR

Vibrations