Geometry & MOs

Info

ID:

108444

PubChem CID:

50245497

Reduced:

ClF2N6O6C35H37 (1)

Stoich.:

AB2C6D6E35F37 (1)

Weight, g/mol:

696.263852

ΔHf, kcal/mol:

-291.4

Dipole, Da:

6.17

IP(EA), eV:

 -9.03(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations