Geometry & MOs

Info

ID:

116641

PubChem CID:

50569718

Reduced:

ClF2N6O6C35H37 (1)

Stoich.:

AB2C6D6E35F37 (1)

Weight, g/mol:

654.216902

ΔHf, kcal/mol:

-285.5

Dipole, Da:

7.31

IP(EA), eV:

 -9.28(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-[(3,4-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCOCC2)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations