Geometry & MOs

Info

ID:

112550

PubChem CID:

50411370

Reduced:

ClF2O5N6C36H39 (1)

Stoich.:

AB2C5D6E36F39 (1)

Weight, g/mol:

722.279503

ΔHf, kcal/mol:

-268.48

Dipole, Da:

8.65

IP(EA), eV:

 -9.05(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[2-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCCC4)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations