Geometry & MOs

Info

ID:

113825

PubChem CID:

50459786

Reduced:

ClF2N6O6C37H41 (1)

Stoich.:

AB2C6D6E37F41 (1)

Weight, g/mol:

736.295152

ΔHf, kcal/mol:

-300.59

Dipole, Da:

6.12

IP(EA), eV:

 -8.98(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations