Geometry & MOs

Info

ID:

97260

PubChem CID:

50029290

Reduced:

FN3O3C19H19 (2)

Stoich.:

AB3C3D19E19 (2)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-255.18

Dipole, Da:

3.41

IP(EA), eV:

 -8.37(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[3-[(2-fluoro-4-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations