Geometry & MOs

Info

ID:

112219

PubChem CID:

50399074

Reduced:

ClF2O5N6C34H37 (1)

Stoich.:

AB2C5D6E34F37 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-259.41

Dipole, Da:

9.74

IP(EA), eV:

 -9.02(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(dimethylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations