Geometry & MOs

Info

ID:

98521

PubChem CID:

50044776

Reduced:

FN3O3C21H26 (2)

Stoich.:

AB3C3D21E26 (2)

Weight, g/mol:

734.36034

ΔHf, kcal/mol:

-320.5

Dipole, Da:

4.54

IP(EA), eV:

 -8.83(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methoxy-5-(propylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)F)C

DOS

IR

Vibrations