Geometry & MOs

Info

ID:

118847

PubChem CID:

50661271

Reduced:

ClN5O5C36H48 (1)

Stoich.:

AB5C5D36E48 (1)

Weight, g/mol:

734.335875

ΔHf, kcal/mol:

-219.3

Dipole, Da:

5.48

IP(EA), eV:

 -8.23(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5CCCCC5

DOS

IR

Vibrations