Geometry & MOs

Info

ID:

116737

PubChem CID:

50573442

Reduced:

ClFN6O6C40H48 (1)

Stoich.:

ABC6D6E40F48 (1)

Weight, g/mol:

720.320224

ΔHf, kcal/mol:

-280.91

Dipole, Da:

2.92

IP(EA), eV:

 -9.14(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-N-[1-[2-[(3-fluoro-4-methylphenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5)C

DOS

IR

Vibrations