Geometry & MOs

Info

ID:

114484

PubChem CID:

50484592

Reduced:

F2O5N6C44H50 (1)

Stoich.:

A2B5C6D44E50 (1)

Weight, g/mol:

682.271525

ΔHf, kcal/mol:

-257.26

Dipole, Da:

12.63

IP(EA), eV:

 -8.55(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(3-fluorobenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=C(C=C5)C)F)F

DOS

IR

Vibrations