Geometry & MOs

Info

ID:

110894

PubChem CID:

50343513

Reduced:

BrO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-221.76

Dipole, Da:

6.32

IP(EA), eV:

 -8.93(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Br)C(=O)NC(C)C)C

DOS

IR

Vibrations