Geometry & MOs

Info

ID:

119899

PubChem CID:

50706474

Reduced:

ClFO5N6C39H40 (1)

Stoich.:

ABC5D6E39F40 (1)

Weight, g/mol:

682.13061

ΔHf, kcal/mol:

-198.94

Dipole, Da:

9.41

IP(EA), eV:

 -8.76(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-3-carbamoylanilino)-1-oxopropan-2-yl]-1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations