Geometry & MOs

Info

ID:

118057

PubChem CID:

50627289

Reduced:

ClN5O5C38H40 (1)

Stoich.:

AB5C5D38E40 (1)

Weight, g/mol:

630.273274

ΔHf, kcal/mol:

-145.43

Dipole, Da:

9.57

IP(EA), eV:

 -8.35(-0.52)

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-(2-methylpropanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)OC)C)Cl

DOS

IR

Vibrations