Geometry & MOs

Info

ID:

109322

PubChem CID:

50280485

Reduced:

ClFO5N6C42H46 (1)

Stoich.:

ABC5D6E42F46 (1)

Weight, g/mol:

674.322811

ΔHf, kcal/mol:

-213.09

Dipole, Da:

9.7

IP(EA), eV:

 -8.78(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-carbamoyl-2-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=CC=C5)F)C)Cl

DOS

IR

Vibrations