Geometry & MOs

Info

ID:

114939

PubChem CID:

50502812

Reduced:

F2O5N6C41H44 (1)

Stoich.:

A2B5C6D41E44 (1)

Weight, g/mol:

650.241974

ΔHf, kcal/mol:

-247.68

Dipole, Da:

7.64

IP(EA), eV:

 -8.84(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]-1-[1-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations