Geometry & MOs

Info

ID:

119127

PubChem CID:

50670419

Reduced:

ClFO5N6C36H40 (1)

Stoich.:

ABC5D6E36F40 (1)

Weight, g/mol:

587.20661

ΔHf, kcal/mol:

-227.98

Dipole, Da:

5.58

IP(EA), eV:

 -8.66(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-chloroanilino)-1-oxopropan-2-yl]-1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)Cl)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations