Geometry & MOs

Info

ID:

118737

PubChem CID:

50656958

Reduced:

ClFO5N6C34H46 (1)

Stoich.:

ABC5D6E34F46 (1)

Weight, g/mol:

724.295152

ΔHf, kcal/mol:

-270.17

Dipole, Da:

6.03

IP(EA), eV:

 -8.6(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-fluoro-3-[[2-(4-fluorophenyl)acetyl]amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations