Geometry & MOs

Info

ID:

111013

PubChem CID:

50348684

Reduced:

FN6O6C41H51 (1)

Stoich.:

AB6C6D41E51 (1)

Weight, g/mol:

619.15609

ΔHf, kcal/mol:

-273.38

Dipole, Da:

6.86

IP(EA), eV:

 -8.28(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-bromo-3-chloroanilino)-2-oxoethyl]-1-[1-[2-methyl-3-(propylcarbamoyl)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)C)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC(=CC=C5)F)C

DOS

IR

Vibrations