Geometry & MOs

Info

ID:

96945

PubChem CID:

50026231

Reduced:

SF2O4N7C31H37 (1)

Stoich.:

AB2C4D7E31F37 (1)

Weight, g/mol:

643.217317

ΔHf, kcal/mol:

-193.39

Dipole, Da:

6.2

IP(EA), eV:

 -9.08(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-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(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations