Geometry & MOs

Info

ID:

118079

PubChem CID:

50627975

Reduced:

ClFN6O6C33H36 (1)

Stoich.:

ABC6D6E33F36 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-246.04

Dipole, Da:

6.98

IP(EA), eV:

 -8.34(-0.73)

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N)Cl)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=CC=C4F

DOS

IR

Vibrations