Geometry & MOs

Info

ID:

117890

PubChem CID:

50619552

Reduced:

ClF2O5N6C33H35 (1)

Stoich.:

AB2C5D6E33F35 (1)

Weight, g/mol:

650.241974

ΔHf, kcal/mol:

-269.52

Dipole, Da:

6.35

IP(EA), eV:

 -9.12(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-[3-[3-[(3-fluoro-4-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)NC(=O)CC2=CC=C(C=C2)F)F)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations