Geometry & MOs

Info

ID:

111589

PubChem CID:

50373648

Reduced:

BrClO4N5C31H39 (1)

Stoich.:

ABC4D5E31F39 (1)

Weight, g/mol:

658.384269

ΔHf, kcal/mol:

-161.28

Dipole, Da:

5.89

IP(EA), eV:

 -9.18(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[2-methyl-5-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)Br)Cl)C

DOS

IR

Vibrations