Geometry & MOs

Info

ID:

114471

PubChem CID:

50484123

Reduced:

ClFO5N6C36H40 (1)

Stoich.:

ABC5D6E36F40 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-226.06

Dipole, Da:

12.26

IP(EA), eV:

 -9.0(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-chloro-2-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[2-[3-[(3-fluorophenyl)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=C(C=CC(=C3)Cl)C(=O)N4CCCCC4)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations