Geometry & MOs

Info

ID:

117543

PubChem CID:

50606929

Reduced:

ClF2O3N4H27C28 (1)

Stoich.:

AB2C3D4E27F28 (1)

Weight, g/mol:

630.212424

ΔHf, kcal/mol:

-160.21

Dipole, Da:

6.83

IP(EA), eV:

 -8.74(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC=C4F)F)Cl

DOS

IR

Vibrations