Geometry & MOs

Info

ID:

97962

PubChem CID:

50037373

Reduced:

FN3O3C21H23 (2)

Stoich.:

AB3C3D21E23 (2)

Weight, g/mol:

718.365425

ΔHf, kcal/mol:

-277.55

Dipole, Da:

5.58

IP(EA), eV:

 -8.1(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[4-(2-methylbutanoylamino)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations