Geometry & MOs

Info

ID:

118196

PubChem CID:

50632535

Reduced:

ClFO5N6C41H42 (1)

Stoich.:

ABC5D6E41F42 (1)

Weight, g/mol:

667.15609

ΔHf, kcal/mol:

-194.87

Dipole, Da:

10.87

IP(EA), eV:

 -8.68(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-bromoanilino)-3-oxopropyl]-1-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC(=C(C=C5)Cl)C(=O)NC6=CC=CC=C6)C)F

DOS

IR

Vibrations