Geometry & MOs

Info

ID:

110111

PubChem CID:

50310316

Reduced:

ClFO5N6C40H42 (1)

Stoich.:

ABC5D6E40F42 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-206.77

Dipole, Da:

11.71

IP(EA), eV:

 -8.62(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=C(C=C5)C)F)C)Cl

DOS

IR

Vibrations