Geometry & MOs

Info

ID:

115911

PubChem CID:

50538918

Reduced:

ClF3O4N5C32H39 (1)

Stoich.:

AB3C4D5E32F39 (1)

Weight, g/mol:

686.275024

ΔHf, kcal/mol:

-320.56

Dipole, Da:

8.02

IP(EA), eV:

 -9.02(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=CC(=C1)C(F)(F)F)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC4

DOS

IR

Vibrations