Geometry & MOs

Info

ID:

117364

PubChem CID:

50599887

Reduced:

ClFO5N6C42H46 (1)

Stoich.:

ABC5D6E42F46 (1)

Weight, g/mol:

754.304574

ΔHf, kcal/mol:

-206.83

Dipole, Da:

8.68

IP(EA), eV:

 -8.69(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-benzamido-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations