Geometry & MOs

Info

ID:

118895

PubChem CID:

50663190

Reduced:

ClFN6O6C40H48 (1)

Stoich.:

ABC6D6E40F48 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-250.68

Dipole, Da:

2.37

IP(EA), eV:

 -8.85(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-[(2-fluorophenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)F)OC)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations