Geometry & MOs

Info

ID:

110742

PubChem CID:

50338483

Reduced:

ClFO4N5H33C35 (1)

Stoich.:

ABC4D5E33F35 (1)

Weight, g/mol:

668.23218

ΔHf, kcal/mol:

-136.19

Dipole, Da:

8.68

IP(EA), eV:

 -8.86(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-bromo-3-(methylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations