Geometry & MOs

Info

ID:

114474

PubChem CID:

50484190

Reduced:

F3O5N6C41H43 (1)

Stoich.:

A3B5C6D41E43 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-289.9

Dipole, Da:

8.25

IP(EA), eV:

 -8.71(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-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)NC(C(C)C)C(=O)NC3=CC=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations