Geometry & MOs

Info

ID:

113571

PubChem CID:

50451532

Reduced:

FN2O2C15H15 (2)

Stoich.:

AB2C2D15E15 (2)

Weight, g/mol:

651.242389

ΔHf, kcal/mol:

-204.41

Dipole, Da:

8.0

IP(EA), eV:

 -9.09(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(cyclopentylcarbamoyl)phenyl]-1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)C)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations