Geometry & MOs

Info

ID:

118058

PubChem CID:

50627337

Reduced:

ClFO5N6C31H40 (1)

Stoich.:

ABC5D6E31F40 (1)

Weight, g/mol:

616.257624

ΔHf, kcal/mol:

-265.14

Dipole, Da:

6.25

IP(EA), eV:

 -8.9(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-[1-[4-fluoro-3-(propanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations