Geometry & MOs

Info

ID:

119345

PubChem CID:

50679422

Reduced:

Cl2F3O4N5C32H36 (1)

Stoich.:

A2B3C4D5E32F36 (1)

Weight, g/mol:

728.345296

ΔHf, kcal/mol:

-329.62

Dipole, Da:

3.32

IP(EA), eV:

 -9.31(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-1-[3-methyl-4-[(2-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(F)(F)F)Cl

DOS

IR

Vibrations